USER MOD reduce.3.24.130724 H: found=0, std=0, add=1016, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1015 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 74 ASN : amide:sc= 0.328 K(o=-0.54,f=-6.4!) USER MOD Set 1.2: A 76 ASN :FLIP amide:sc= -0.865 F(o=-2.2,f=-0.54) USER MOD Set 2.1: A 43 GLN : amide:sc= -1.79 K(o=-1.8,f=-2.3!) USER MOD Set 2.2: A 115 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 8 LYS NZ :NH3+ 173:sc=-0.00732 (180deg=0) USER MOD Set 3.2: A 110 TYR OH : rot 180:sc=-0.00809 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.34) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.3) USER MOD Single : A 26 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.072) USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.173 F(o=-0.82,f=-0.17) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0683 USER MOD Single : A 30 LYS NZ :NH3+ -137:sc= 1.26 (180deg=0.52) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 129:sc= 0.0236 USER MOD Single : A 51 LYS NZ :NH3+ 166:sc= 2.06 (180deg=1.75) USER MOD Single : A 57 HIS : no HD1:sc= -1.24 X(o=-1.2,f=-1.6) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.332 F(o=-2.2,f=-0.33) USER MOD Single : A 60 MET CE :methyl 164:sc= -1.38 (180deg=-1.65) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0.626 K(o=0.63,f=-0.14) USER MOD Single : A 77 GLN : amide:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 84 ASN : amide:sc= 0.341 K(o=0.34,f=-0.92) USER MOD Single : A 86 HIS : no HD1:sc= -0.0457 X(o=-0.046,f=-0.046) USER MOD Single : A 87 SER OG : rot 180:sc= 0.0814 USER MOD Single : A 88 MET CE :methyl 154:sc= -3.2 (180deg=-7.24!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 97:sc= 0.0854 USER MOD Single : A 96 SER OG : rot 180:sc= -0.172 USER MOD Single : A 99 TYR OH : rot -22:sc= 1.18 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl 169:sc= -1.9 (180deg=-2.06) USER MOD Single : A 113 TYR OH : rot -170:sc= 0.95 USER MOD Single : A 116 GLN : amide:sc= 0.989 K(o=0.99,f=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 64 N THR A 6 -5.651 -13.075 -4.396 1.00 41.40 N ATOM 65 CA THR A 6 -5.037 -11.768 -4.256 1.00 32.14 C ATOM 66 C THR A 6 -6.090 -10.666 -4.138 1.00 73.42 C ATOM 67 O THR A 6 -7.277 -10.875 -4.409 1.00 14.25 O ATOM 68 CB THR A 6 -4.105 -11.512 -5.457 1.00 54.03 C ATOM 69 OG1 THR A 6 -4.797 -11.497 -6.692 1.00 34.54 O ATOM 70 CG2 THR A 6 -3.005 -12.567 -5.548 1.00 20.24 C ATOM 0 HA THR A 6 -4.452 -11.752 -3.336 1.00 32.14 H new ATOM 0 HB THR A 6 -3.671 -10.528 -5.279 1.00 54.03 H new ATOM 0 HG1 THR A 6 -4.163 -11.330 -7.420 1.00 34.54 H new ATOM 0 HG21 THR A 6 -2.367 -12.355 -6.406 1.00 20.24 H new ATOM 0 HG22 THR A 6 -2.406 -12.548 -4.637 1.00 20.24 H new ATOM 0 HG23 THR A 6 -3.455 -13.553 -5.666 1.00 20.24 H new ATOM 78 N PHE A 7 -5.652 -9.456 -3.790 1.00 54.11 N ATOM 79 CA PHE A 7 -6.532 -8.300 -3.665 1.00 35.20 C ATOM 80 C PHE A 7 -7.241 -8.044 -5.004 1.00 53.41 C ATOM 81 O PHE A 7 -8.466 -7.943 -5.060 1.00 62.32 O ATOM 82 CB PHE A 7 -5.748 -7.093 -3.136 1.00 64.14 C ATOM 83 CG PHE A 7 -4.838 -6.343 -4.098 1.00 60.54 C ATOM 84 CD1 PHE A 7 -3.689 -6.942 -4.652 1.00 15.30 C ATOM 85 CD2 PHE A 7 -5.118 -5.000 -4.396 1.00 72.15 C ATOM 86 CE1 PHE A 7 -2.841 -6.208 -5.500 1.00 71.12 C ATOM 87 CE2 PHE A 7 -4.282 -4.265 -5.252 1.00 23.41 C ATOM 88 CZ PHE A 7 -3.141 -4.871 -5.806 1.00 41.02 C ATOM 0 H PHE A 7 -4.673 -9.252 -3.587 1.00 54.11 H new ATOM 0 HA PHE A 7 -7.315 -8.493 -2.932 1.00 35.20 H new ATOM 0 HB2 PHE A 7 -6.468 -6.379 -2.735 1.00 64.14 H new ATOM 0 HB3 PHE A 7 -5.138 -7.434 -2.300 1.00 64.14 H new ATOM 0 HD1 PHE A 7 -3.458 -7.972 -4.424 1.00 15.30 H new ATOM 0 HD2 PHE A 7 -5.986 -4.527 -3.962 1.00 72.15 H new ATOM 0 HE1 PHE A 7 -1.959 -6.673 -5.916 1.00 71.12 H new ATOM 0 HE2 PHE A 7 -4.515 -3.236 -5.484 1.00 23.41 H new ATOM 0 HZ PHE A 7 -2.496 -4.309 -6.466 1.00 41.02 H new ATOM 98 N LYS A 8 -6.492 -8.038 -6.116 1.00 53.43 N ATOM 99 CA LYS A 8 -7.053 -7.825 -7.455 1.00 40.05 C ATOM 100 C LYS A 8 -7.999 -8.972 -7.824 1.00 53.33 C ATOM 101 O LYS A 8 -8.922 -8.758 -8.605 1.00 75.14 O ATOM 102 CB LYS A 8 -5.936 -7.627 -8.494 1.00 43.05 C ATOM 103 CG LYS A 8 -5.162 -6.324 -8.223 1.00 24.13 C ATOM 104 CD LYS A 8 -3.889 -6.177 -9.069 1.00 3.40 C ATOM 105 CE LYS A 8 -4.140 -5.440 -10.386 1.00 72.34 C ATOM 106 NZ LYS A 8 -3.976 -3.978 -10.276 1.00 12.21 N ATOM 0 H LYS A 8 -5.482 -8.181 -6.111 1.00 53.43 H new ATOM 0 HA LYS A 8 -7.642 -6.908 -7.451 1.00 40.05 H new ATOM 0 HB2 LYS A 8 -5.251 -8.475 -8.465 1.00 43.05 H new ATOM 0 HB3 LYS A 8 -6.365 -7.599 -9.495 1.00 43.05 H new ATOM 0 HG2 LYS A 8 -5.817 -5.475 -8.418 1.00 24.13 H new ATOM 0 HG3 LYS A 8 -4.893 -6.284 -7.167 1.00 24.13 H new ATOM 0 HD2 LYS A 8 -3.135 -5.639 -8.494 1.00 3.40 H new ATOM 0 HD3 LYS A 8 -3.482 -7.166 -9.282 1.00 3.40 H new ATOM 0 HE2 LYS A 8 -3.454 -5.820 -11.143 1.00 72.34 H new ATOM 0 HE3 LYS A 8 -5.150 -5.661 -10.731 1.00 72.34 H new ATOM 0 HZ1 LYS A 8 -4.042 -3.549 -11.221 1.00 12.21 H new ATOM 0 HZ2 LYS A 8 -4.724 -3.590 -9.667 1.00 12.21 H new ATOM 0 HZ3 LYS A 8 -3.046 -3.763 -9.863 1.00 12.21 H new ATOM 120 N GLN A 9 -7.800 -10.183 -7.288 1.00 3.44 N ATOM 121 CA GLN A 9 -8.698 -11.296 -7.562 1.00 73.53 C ATOM 122 C GLN A 9 -10.016 -11.023 -6.831 1.00 42.44 C ATOM 123 O GLN A 9 -11.072 -11.220 -7.420 1.00 34.11 O ATOM 124 CB GLN A 9 -8.098 -12.650 -7.140 1.00 24.13 C ATOM 125 CG GLN A 9 -7.264 -13.299 -8.251 1.00 4.14 C ATOM 126 CD GLN A 9 -8.134 -13.689 -9.442 1.00 61.21 C ATOM 127 OE1 GLN A 9 -9.155 -14.356 -9.288 1.00 15.34 O ATOM 128 NE2 GLN A 9 -7.762 -13.273 -10.636 1.00 13.03 N ATOM 0 H GLN A 9 -7.025 -10.410 -6.665 1.00 3.44 H new ATOM 0 HA GLN A 9 -8.865 -11.368 -8.637 1.00 73.53 H new ATOM 0 HB2 GLN A 9 -7.473 -12.507 -6.258 1.00 24.13 H new ATOM 0 HB3 GLN A 9 -8.903 -13.326 -6.854 1.00 24.13 H new ATOM 0 HG2 GLN A 9 -6.487 -12.607 -8.577 1.00 4.14 H new ATOM 0 HG3 GLN A 9 -6.760 -14.183 -7.861 1.00 4.14 H new ATOM 0 HE21 GLN A 9 -6.911 -12.721 -10.741 1.00 13.03 H new ATOM 0 HE22 GLN A 9 -8.325 -13.503 -11.455 1.00 13.03 H new ATOM 137 N ARG A 10 -10.007 -10.538 -5.579 1.00 24.32 N ATOM 138 CA ARG A 10 -11.249 -10.248 -4.843 1.00 24.53 C ATOM 139 C ARG A 10 -11.889 -8.906 -5.225 1.00 53.10 C ATOM 140 O ARG A 10 -12.899 -8.535 -4.626 1.00 32.13 O ATOM 141 CB ARG A 10 -11.073 -10.396 -3.315 1.00 12.35 C ATOM 142 CG ARG A 10 -10.144 -9.383 -2.618 1.00 73.50 C ATOM 143 CD ARG A 10 -10.526 -9.133 -1.149 1.00 52.10 C ATOM 144 NE ARG A 10 -10.539 -10.370 -0.360 1.00 75.13 N ATOM 145 CZ ARG A 10 -10.808 -10.497 0.944 1.00 42.40 C ATOM 146 NH1 ARG A 10 -11.053 -9.452 1.726 1.00 53.43 N ATOM 147 NH2 ARG A 10 -10.820 -11.714 1.453 1.00 34.53 N ATOM 0 H ARG A 10 -9.155 -10.338 -5.055 1.00 24.32 H new ATOM 0 HA ARG A 10 -11.959 -11.012 -5.159 1.00 24.53 H new ATOM 0 HB2 ARG A 10 -12.057 -10.328 -2.852 1.00 12.35 H new ATOM 0 HB3 ARG A 10 -10.695 -11.398 -3.113 1.00 12.35 H new ATOM 0 HG2 ARG A 10 -9.118 -9.747 -2.664 1.00 73.50 H new ATOM 0 HG3 ARG A 10 -10.172 -8.438 -3.161 1.00 73.50 H new ATOM 0 HD2 ARG A 10 -9.820 -8.430 -0.707 1.00 52.10 H new ATOM 0 HD3 ARG A 10 -11.510 -8.667 -1.106 1.00 52.10 H new ATOM 0 HE ARG A 10 -10.318 -11.230 -0.862 1.00 75.13 H new ATOM 0 HH11 ARG A 10 -11.040 -8.509 1.336 1.00 53.43 H new ATOM 0 HH12 ARG A 10 -11.254 -9.592 2.716 1.00 53.43 H new ATOM 0 HH21 ARG A 10 -10.628 -12.518 0.856 1.00 34.53 H new ATOM 0 HH22 ARG A 10 -11.021 -11.851 2.444 1.00 34.53 H new ATOM 161 N ARG A 11 -11.327 -8.139 -6.171 1.00 32.22 N ATOM 162 CA ARG A 11 -11.872 -6.850 -6.599 1.00 54.41 C ATOM 163 C ARG A 11 -11.701 -6.685 -8.107 1.00 52.32 C ATOM 164 O ARG A 11 -10.576 -6.480 -8.578 1.00 53.01 O ATOM 165 CB ARG A 11 -11.187 -5.682 -5.846 1.00 60.34 C ATOM 166 CG ARG A 11 -11.390 -5.641 -4.330 1.00 74.51 C ATOM 167 CD ARG A 11 -12.835 -5.306 -3.992 1.00 33.30 C ATOM 168 NE ARG A 11 -13.014 -5.122 -2.556 1.00 52.15 N ATOM 169 CZ ARG A 11 -13.496 -6.023 -1.689 1.00 55.13 C ATOM 170 NH1 ARG A 11 -13.722 -7.276 -2.085 1.00 35.24 N ATOM 171 NH2 ARG A 11 -13.731 -5.685 -0.426 1.00 3.32 N ATOM 0 H ARG A 11 -10.473 -8.402 -6.663 1.00 32.22 H new ATOM 0 HA ARG A 11 -12.935 -6.828 -6.359 1.00 54.41 H new ATOM 0 HB2 ARG A 11 -10.117 -5.727 -6.047 1.00 60.34 H new ATOM 0 HB3 ARG A 11 -11.551 -4.744 -6.265 1.00 60.34 H new ATOM 0 HG2 ARG A 11 -11.123 -6.605 -3.896 1.00 74.51 H new ATOM 0 HG3 ARG A 11 -10.726 -4.898 -3.889 1.00 74.51 H new ATOM 0 HD2 ARG A 11 -13.133 -4.398 -4.517 1.00 33.30 H new ATOM 0 HD3 ARG A 11 -13.488 -6.106 -4.343 1.00 33.30 H new ATOM 0 HE ARG A 11 -12.745 -4.216 -2.173 1.00 52.15 H new ATOM 0 HH11 ARG A 11 -13.528 -7.549 -3.048 1.00 35.24 H new ATOM 0 HH12 ARG A 11 -14.089 -7.961 -1.425 1.00 35.24 H new ATOM 0 HH21 ARG A 11 -13.545 -4.733 -0.110 1.00 3.32 H new ATOM 0 HH22 ARG A 11 -14.098 -6.377 0.227 1.00 3.32 H new ATOM 185 N THR A 12 -12.793 -6.783 -8.871 1.00 13.40 N ATOM 186 CA THR A 12 -12.781 -6.613 -10.328 1.00 43.43 C ATOM 187 C THR A 12 -12.334 -5.174 -10.652 1.00 75.31 C ATOM 188 O THR A 12 -12.249 -4.352 -9.739 1.00 75.25 O ATOM 189 CB THR A 12 -14.176 -6.982 -10.885 1.00 72.52 C ATOM 190 OG1 THR A 12 -14.176 -7.010 -12.299 1.00 15.13 O ATOM 191 CG2 THR A 12 -15.287 -6.036 -10.435 1.00 71.33 C ATOM 0 H THR A 12 -13.719 -6.984 -8.493 1.00 13.40 H new ATOM 0 HA THR A 12 -12.068 -7.279 -10.814 1.00 43.43 H new ATOM 0 HB THR A 12 -14.382 -7.972 -10.478 1.00 72.52 H new ATOM 0 HG1 THR A 12 -15.070 -7.248 -12.621 1.00 15.13 H new ATOM 0 HG21 THR A 12 -16.235 -6.358 -10.865 1.00 71.33 H new ATOM 0 HG22 THR A 12 -15.358 -6.050 -9.347 1.00 71.33 H new ATOM 0 HG23 THR A 12 -15.061 -5.024 -10.771 1.00 71.33 H new ATOM 199 N PHE A 13 -12.045 -4.843 -11.918 1.00 52.31 N ATOM 200 CA PHE A 13 -11.625 -3.486 -12.273 1.00 11.40 C ATOM 201 C PHE A 13 -12.674 -2.470 -11.820 1.00 20.13 C ATOM 202 O PHE A 13 -12.324 -1.481 -11.182 1.00 61.45 O ATOM 203 CB PHE A 13 -11.346 -3.352 -13.773 1.00 20.52 C ATOM 204 CG PHE A 13 -10.767 -2.000 -14.153 1.00 60.23 C ATOM 205 CD1 PHE A 13 -11.611 -0.885 -14.336 1.00 62.21 C ATOM 206 CD2 PHE A 13 -9.372 -1.843 -14.274 1.00 15.44 C ATOM 207 CE1 PHE A 13 -11.057 0.381 -14.593 1.00 74.54 C ATOM 208 CE2 PHE A 13 -8.820 -0.578 -14.542 1.00 11.32 C ATOM 209 CZ PHE A 13 -9.663 0.536 -14.689 1.00 52.01 C ATOM 0 H PHE A 13 -12.094 -5.491 -12.704 1.00 52.31 H new ATOM 0 HA PHE A 13 -10.690 -3.279 -11.752 1.00 11.40 H new ATOM 0 HB2 PHE A 13 -10.654 -4.136 -14.079 1.00 20.52 H new ATOM 0 HB3 PHE A 13 -12.272 -3.512 -14.325 1.00 20.52 H new ATOM 0 HD1 PHE A 13 -12.683 -1.004 -14.279 1.00 62.21 H new ATOM 0 HD2 PHE A 13 -8.723 -2.699 -14.160 1.00 15.44 H new ATOM 0 HE1 PHE A 13 -11.704 1.237 -14.717 1.00 74.54 H new ATOM 0 HE2 PHE A 13 -7.750 -0.463 -14.635 1.00 11.32 H new ATOM 0 HZ PHE A 13 -9.240 1.512 -14.876 1.00 52.01 H new ATOM 219 N GLU A 14 -13.955 -2.744 -12.082 1.00 55.14 N ATOM 220 CA GLU A 14 -15.052 -1.861 -11.701 1.00 13.14 C ATOM 221 C GLU A 14 -15.070 -1.637 -10.196 1.00 0.30 C ATOM 222 O GLU A 14 -15.176 -0.501 -9.734 1.00 72.31 O ATOM 223 CB GLU A 14 -16.392 -2.421 -12.208 1.00 60.11 C ATOM 224 CG GLU A 14 -16.549 -2.184 -13.716 1.00 44.32 C ATOM 225 CD GLU A 14 -16.315 -0.711 -14.074 1.00 41.31 C ATOM 226 OE1 GLU A 14 -16.862 0.179 -13.381 1.00 33.53 O ATOM 227 OE2 GLU A 14 -15.462 -0.473 -14.960 1.00 4.21 O ATOM 0 H GLU A 14 -14.258 -3.589 -12.567 1.00 55.14 H new ATOM 0 HA GLU A 14 -14.897 -0.890 -12.171 1.00 13.14 H new ATOM 0 HB2 GLU A 14 -16.448 -3.489 -11.996 1.00 60.11 H new ATOM 0 HB3 GLU A 14 -17.215 -1.946 -11.674 1.00 60.11 H new ATOM 0 HG2 GLU A 14 -15.842 -2.810 -14.261 1.00 44.32 H new ATOM 0 HG3 GLU A 14 -17.548 -2.483 -14.032 1.00 44.32 H new ATOM 234 N GLN A 15 -14.927 -2.711 -9.424 1.00 51.05 N ATOM 235 CA GLN A 15 -14.907 -2.614 -7.982 1.00 21.11 C ATOM 236 C GLN A 15 -13.638 -1.880 -7.541 1.00 24.23 C ATOM 237 O GLN A 15 -13.614 -1.300 -6.465 1.00 31.14 O ATOM 238 CB GLN A 15 -15.031 -4.001 -7.339 1.00 42.03 C ATOM 239 CG GLN A 15 -15.347 -3.913 -5.842 1.00 14.04 C ATOM 240 CD GLN A 15 -16.720 -3.308 -5.583 1.00 53.23 C ATOM 241 OE1 GLN A 15 -17.729 -3.891 -5.972 1.00 53.25 O ATOM 242 NE2 GLN A 15 -16.779 -2.165 -4.928 1.00 74.52 N ATOM 0 H GLN A 15 -14.823 -3.660 -9.783 1.00 51.05 H new ATOM 0 HA GLN A 15 -15.767 -2.038 -7.642 1.00 21.11 H new ATOM 0 HB2 GLN A 15 -15.816 -4.565 -7.843 1.00 42.03 H new ATOM 0 HB3 GLN A 15 -14.101 -4.551 -7.482 1.00 42.03 H new ATOM 0 HG2 GLN A 15 -15.301 -4.910 -5.403 1.00 14.04 H new ATOM 0 HG3 GLN A 15 -14.586 -3.311 -5.346 1.00 14.04 H new ATOM 0 HE21 GLN A 15 -15.920 -1.709 -4.620 1.00 74.52 H new ATOM 0 HE22 GLN A 15 -17.683 -1.737 -4.729 1.00 74.52 H new ATOM 251 N ARG A 16 -12.531 -1.969 -8.285 1.00 20.33 N ATOM 252 CA ARG A 16 -11.299 -1.289 -7.920 1.00 75.54 C ATOM 253 C ARG A 16 -11.506 0.203 -8.064 1.00 72.21 C ATOM 254 O ARG A 16 -11.269 0.892 -7.078 1.00 4.43 O ATOM 255 CB ARG A 16 -10.097 -1.796 -8.730 1.00 22.51 C ATOM 256 CG ARG A 16 -9.233 -2.692 -7.837 1.00 43.23 C ATOM 257 CD ARG A 16 -8.122 -3.393 -8.610 1.00 60.35 C ATOM 258 NE ARG A 16 -8.638 -4.564 -9.335 1.00 73.13 N ATOM 259 CZ ARG A 16 -8.252 -5.016 -10.528 1.00 33.31 C ATOM 260 NH1 ARG A 16 -7.574 -4.234 -11.366 1.00 20.42 N ATOM 261 NH2 ARG A 16 -8.544 -6.280 -10.822 1.00 12.04 N ATOM 0 H ARG A 16 -12.470 -2.510 -9.147 1.00 20.33 H new ATOM 0 HA ARG A 16 -11.059 -1.513 -6.880 1.00 75.54 H new ATOM 0 HB2 ARG A 16 -10.439 -2.353 -9.602 1.00 22.51 H new ATOM 0 HB3 ARG A 16 -9.510 -0.955 -9.099 1.00 22.51 H new ATOM 0 HG2 ARG A 16 -8.793 -2.090 -7.042 1.00 43.23 H new ATOM 0 HG3 ARG A 16 -9.865 -3.440 -7.358 1.00 43.23 H new ATOM 0 HD2 ARG A 16 -7.669 -2.696 -9.315 1.00 60.35 H new ATOM 0 HD3 ARG A 16 -7.337 -3.705 -7.921 1.00 60.35 H new ATOM 0 HE ARG A 16 -9.377 -5.092 -8.871 1.00 73.13 H new ATOM 0 HH11 ARG A 16 -7.344 -3.277 -11.098 1.00 20.42 H new ATOM 0 HH12 ARG A 16 -7.284 -4.592 -12.276 1.00 20.42 H new ATOM 0 HH21 ARG A 16 -9.043 -6.859 -10.146 1.00 12.04 H new ATOM 0 HH22 ARG A 16 -8.269 -6.671 -11.723 1.00 12.04 H new ATOM 275 N VAL A 17 -11.972 0.682 -9.220 1.00 32.10 N ATOM 276 CA VAL A 17 -12.202 2.108 -9.407 1.00 33.10 C ATOM 277 C VAL A 17 -13.220 2.587 -8.360 1.00 14.14 C ATOM 278 O VAL A 17 -13.035 3.647 -7.763 1.00 23.33 O ATOM 279 CB VAL A 17 -12.549 2.436 -10.877 1.00 51.02 C ATOM 280 CG1 VAL A 17 -13.793 1.743 -11.437 1.00 43.45 C ATOM 281 CG2 VAL A 17 -12.708 3.942 -11.073 1.00 2.42 C ATOM 0 H VAL A 17 -12.194 0.105 -10.031 1.00 32.10 H new ATOM 0 HA VAL A 17 -11.290 2.678 -9.230 1.00 33.10 H new ATOM 0 HB VAL A 17 -11.700 2.043 -11.437 1.00 51.02 H new ATOM 0 HG11 VAL A 17 -13.942 2.045 -12.474 1.00 43.45 H new ATOM 0 HG12 VAL A 17 -13.660 0.662 -11.389 1.00 43.45 H new ATOM 0 HG13 VAL A 17 -14.665 2.028 -10.847 1.00 43.45 H new ATOM 0 HG21 VAL A 17 -12.952 4.150 -12.115 1.00 2.42 H new ATOM 0 HG22 VAL A 17 -13.510 4.310 -10.432 1.00 2.42 H new ATOM 0 HG23 VAL A 17 -11.776 4.443 -10.812 1.00 2.42 H new ATOM 291 N GLU A 18 -14.254 1.789 -8.075 1.00 34.20 N ATOM 292 CA GLU A 18 -15.270 2.136 -7.095 1.00 12.33 C ATOM 293 C GLU A 18 -14.697 2.155 -5.674 1.00 32.54 C ATOM 294 O GLU A 18 -14.994 3.063 -4.911 1.00 14.41 O ATOM 295 CB GLU A 18 -16.460 1.185 -7.230 1.00 40.15 C ATOM 296 CG GLU A 18 -17.658 1.635 -6.387 1.00 31.43 C ATOM 297 CD GLU A 18 -18.953 1.111 -6.999 1.00 63.44 C ATOM 298 OE1 GLU A 18 -19.147 -0.125 -7.052 1.00 33.42 O ATOM 299 OE2 GLU A 18 -19.726 1.942 -7.524 1.00 74.54 O ATOM 0 H GLU A 18 -14.404 0.884 -8.522 1.00 34.20 H new ATOM 0 HA GLU A 18 -15.622 3.149 -7.292 1.00 12.33 H new ATOM 0 HB2 GLU A 18 -16.757 1.124 -8.277 1.00 40.15 H new ATOM 0 HB3 GLU A 18 -16.159 0.183 -6.925 1.00 40.15 H new ATOM 0 HG2 GLU A 18 -17.554 1.267 -5.366 1.00 31.43 H new ATOM 0 HG3 GLU A 18 -17.686 2.723 -6.332 1.00 31.43 H new ATOM 306 N ASP A 19 -13.836 1.207 -5.311 1.00 64.34 N ATOM 307 CA ASP A 19 -13.235 1.130 -3.982 1.00 34.24 C ATOM 308 C ASP A 19 -12.294 2.321 -3.763 1.00 32.50 C ATOM 309 O ASP A 19 -12.201 2.833 -2.644 1.00 1.20 O ATOM 310 CB ASP A 19 -12.375 -0.140 -3.827 1.00 14.30 C ATOM 311 CG ASP A 19 -13.018 -1.451 -3.351 1.00 71.22 C ATOM 312 OD1 ASP A 19 -14.253 -1.607 -3.257 1.00 3.22 O ATOM 313 OD2 ASP A 19 -12.180 -2.350 -3.057 1.00 44.15 O ATOM 0 H ASP A 19 -13.533 0.462 -5.939 1.00 64.34 H new ATOM 0 HA ASP A 19 -14.054 1.124 -3.263 1.00 34.24 H new ATOM 0 HB2 ASP A 19 -11.913 -0.338 -4.794 1.00 14.30 H new ATOM 0 HB3 ASP A 19 -11.570 0.097 -3.132 1.00 14.30 H new ATOM 318 N VAL A 20 -11.519 2.729 -4.781 1.00 32.42 N ATOM 319 CA VAL A 20 -10.606 3.859 -4.615 1.00 33.54 C ATOM 320 C VAL A 20 -11.399 5.153 -4.565 1.00 74.55 C ATOM 321 O VAL A 20 -11.165 5.947 -3.654 1.00 30.43 O ATOM 322 CB VAL A 20 -9.446 3.873 -5.622 1.00 45.35 C ATOM 323 CG1 VAL A 20 -9.815 3.975 -7.093 1.00 2.42 C ATOM 324 CG2 VAL A 20 -8.460 4.987 -5.283 1.00 25.11 C ATOM 0 H VAL A 20 -11.509 2.301 -5.707 1.00 32.42 H new ATOM 0 HA VAL A 20 -10.097 3.744 -3.658 1.00 33.54 H new ATOM 0 HB VAL A 20 -9.004 2.883 -5.509 1.00 45.35 H new ATOM 0 HG11 VAL A 20 -8.907 3.975 -7.697 1.00 2.42 H new ATOM 0 HG12 VAL A 20 -10.436 3.124 -7.372 1.00 2.42 H new ATOM 0 HG13 VAL A 20 -10.366 4.899 -7.267 1.00 2.42 H new ATOM 0 HG21 VAL A 20 -7.644 4.983 -6.006 1.00 25.11 H new ATOM 0 HG22 VAL A 20 -8.972 5.949 -5.318 1.00 25.11 H new ATOM 0 HG23 VAL A 20 -8.059 4.826 -4.282 1.00 25.11 H new ATOM 334 N ARG A 21 -12.334 5.391 -5.495 1.00 63.25 N ATOM 335 CA ARG A 21 -13.108 6.624 -5.424 1.00 31.10 C ATOM 336 C ARG A 21 -13.842 6.638 -4.083 1.00 43.11 C ATOM 337 O ARG A 21 -13.814 7.673 -3.437 1.00 13.23 O ATOM 338 CB ARG A 21 -14.001 6.847 -6.659 1.00 23.53 C ATOM 339 CG ARG A 21 -15.136 5.830 -6.798 1.00 53.02 C ATOM 340 CD ARG A 21 -16.420 6.253 -6.073 1.00 42.01 C ATOM 341 NE ARG A 21 -17.316 6.996 -6.969 1.00 63.24 N ATOM 342 CZ ARG A 21 -18.298 6.468 -7.706 1.00 30.54 C ATOM 343 NH1 ARG A 21 -18.605 5.176 -7.592 1.00 21.13 N ATOM 344 NH2 ARG A 21 -18.964 7.232 -8.565 1.00 24.33 N ATOM 0 H ARG A 21 -12.562 4.771 -6.272 1.00 63.25 H new ATOM 0 HA ARG A 21 -12.446 7.490 -5.457 1.00 31.10 H new ATOM 0 HB2 ARG A 21 -14.428 7.849 -6.610 1.00 23.53 H new ATOM 0 HB3 ARG A 21 -13.381 6.809 -7.555 1.00 23.53 H new ATOM 0 HG2 ARG A 21 -15.355 5.683 -7.855 1.00 53.02 H new ATOM 0 HG3 ARG A 21 -14.804 4.869 -6.405 1.00 53.02 H new ATOM 0 HD2 ARG A 21 -16.933 5.370 -5.692 1.00 42.01 H new ATOM 0 HD3 ARG A 21 -16.168 6.872 -5.212 1.00 42.01 H new ATOM 0 HE ARG A 21 -17.176 8.004 -7.035 1.00 63.24 H new ATOM 0 HH11 ARG A 21 -18.090 4.585 -6.940 1.00 21.13 H new ATOM 0 HH12 ARG A 21 -19.355 4.778 -8.157 1.00 21.13 H new ATOM 0 HH21 ARG A 21 -18.725 8.219 -8.661 1.00 24.33 H new ATOM 0 HH22 ARG A 21 -19.714 6.831 -9.129 1.00 24.33 H new ATOM 358 N LEU A 22 -14.369 5.507 -3.592 1.00 4.30 N ATOM 359 CA LEU A 22 -15.074 5.415 -2.313 1.00 30.32 C ATOM 360 C LEU A 22 -14.172 5.954 -1.213 1.00 34.20 C ATOM 361 O LEU A 22 -14.587 6.815 -0.436 1.00 45.04 O ATOM 362 CB LEU A 22 -15.458 3.946 -2.024 1.00 10.12 C ATOM 363 CG LEU A 22 -15.901 3.625 -0.583 1.00 32.53 C ATOM 364 CD1 LEU A 22 -17.179 4.365 -0.185 1.00 13.12 C ATOM 365 CD2 LEU A 22 -16.107 2.115 -0.432 1.00 2.22 C ATOM 0 H LEU A 22 -14.314 4.616 -4.085 1.00 4.30 H new ATOM 0 HA LEU A 22 -15.989 6.006 -2.353 1.00 30.32 H new ATOM 0 HB2 LEU A 22 -16.265 3.664 -2.700 1.00 10.12 H new ATOM 0 HB3 LEU A 22 -14.603 3.315 -2.267 1.00 10.12 H new ATOM 0 HG LEU A 22 -15.110 3.966 0.085 1.00 32.53 H new ATOM 0 HD11 LEU A 22 -17.447 4.103 0.839 1.00 13.12 H new ATOM 0 HD12 LEU A 22 -17.013 5.440 -0.253 1.00 13.12 H new ATOM 0 HD13 LEU A 22 -17.989 4.079 -0.856 1.00 13.12 H new ATOM 0 HD21 LEU A 22 -16.420 1.891 0.588 1.00 2.22 H new ATOM 0 HD22 LEU A 22 -16.875 1.781 -1.129 1.00 2.22 H new ATOM 0 HD23 LEU A 22 -15.172 1.597 -0.647 1.00 2.22 H new ATOM 377 N ILE A 23 -12.922 5.485 -1.145 1.00 24.20 N ATOM 378 CA ILE A 23 -12.026 5.971 -0.108 1.00 13.04 C ATOM 379 C ILE A 23 -11.659 7.442 -0.327 1.00 31.31 C ATOM 380 O ILE A 23 -11.494 8.166 0.647 1.00 1.30 O ATOM 381 CB ILE A 23 -10.840 5.011 0.086 1.00 44.42 C ATOM 382 CG1 ILE A 23 -10.491 4.851 1.577 1.00 11.31 C ATOM 383 CG2 ILE A 23 -9.572 5.410 -0.690 1.00 51.44 C ATOM 384 CD1 ILE A 23 -11.599 4.241 2.446 1.00 62.51 C ATOM 0 H ILE A 23 -12.523 4.791 -1.777 1.00 24.20 H new ATOM 0 HA ILE A 23 -12.544 5.968 0.851 1.00 13.04 H new ATOM 0 HB ILE A 23 -11.181 4.061 -0.326 1.00 44.42 H new ATOM 0 HG12 ILE A 23 -9.601 4.227 1.660 1.00 11.31 H new ATOM 0 HG13 ILE A 23 -10.233 5.830 1.980 1.00 11.31 H new ATOM 0 HG21 ILE A 23 -8.784 4.682 -0.499 1.00 51.44 H new ATOM 0 HG22 ILE A 23 -9.791 5.435 -1.757 1.00 51.44 H new ATOM 0 HG23 ILE A 23 -9.241 6.396 -0.364 1.00 51.44 H new ATOM 0 HD11 ILE A 23 -11.255 4.171 3.478 1.00 62.51 H new ATOM 0 HD12 ILE A 23 -12.486 4.873 2.402 1.00 62.51 H new ATOM 0 HD13 ILE A 23 -11.844 3.245 2.077 1.00 62.51 H new ATOM 396 N ARG A 24 -11.541 7.908 -1.574 1.00 42.41 N ATOM 397 CA ARG A 24 -11.215 9.304 -1.884 1.00 71.41 C ATOM 398 C ARG A 24 -12.375 10.222 -1.487 1.00 72.35 C ATOM 399 O ARG A 24 -12.147 11.390 -1.174 1.00 73.44 O ATOM 400 CB ARG A 24 -10.929 9.459 -3.390 1.00 52.11 C ATOM 401 CG ARG A 24 -9.736 8.647 -3.925 1.00 50.12 C ATOM 402 CD ARG A 24 -8.564 9.531 -4.349 1.00 21.23 C ATOM 403 NE ARG A 24 -7.907 10.160 -3.186 1.00 45.15 N ATOM 404 CZ ARG A 24 -7.675 11.467 -3.010 1.00 25.44 C ATOM 405 NH1 ARG A 24 -8.003 12.364 -3.927 1.00 24.41 N ATOM 406 NH2 ARG A 24 -7.109 11.874 -1.886 1.00 10.14 N ATOM 0 H ARG A 24 -11.669 7.325 -2.401 1.00 42.41 H new ATOM 0 HA ARG A 24 -10.327 9.586 -1.317 1.00 71.41 H new ATOM 0 HB2 ARG A 24 -11.822 9.168 -3.943 1.00 52.11 H new ATOM 0 HB3 ARG A 24 -10.753 10.514 -3.602 1.00 52.11 H new ATOM 0 HG2 ARG A 24 -9.401 7.951 -3.156 1.00 50.12 H new ATOM 0 HG3 ARG A 24 -10.061 8.049 -4.776 1.00 50.12 H new ATOM 0 HD2 ARG A 24 -7.837 8.933 -4.898 1.00 21.23 H new ATOM 0 HD3 ARG A 24 -8.919 10.305 -5.029 1.00 21.23 H new ATOM 0 HE ARG A 24 -7.598 9.535 -2.441 1.00 45.15 H new ATOM 0 HH11 ARG A 24 -8.445 12.066 -4.797 1.00 24.41 H new ATOM 0 HH12 ARG A 24 -7.813 13.353 -3.764 1.00 24.41 H new ATOM 0 HH21 ARG A 24 -6.856 11.195 -1.168 1.00 10.14 H new ATOM 0 HH22 ARG A 24 -6.926 12.866 -1.737 1.00 10.14 H new ATOM 420 N GLU A 25 -13.605 9.706 -1.507 1.00 52.01 N ATOM 421 CA GLU A 25 -14.827 10.416 -1.165 1.00 1.32 C ATOM 422 C GLU A 25 -14.881 10.568 0.354 1.00 50.15 C ATOM 423 O GLU A 25 -14.977 11.688 0.849 1.00 23.53 O ATOM 424 CB GLU A 25 -16.066 9.661 -1.691 1.00 53.01 C ATOM 425 CG GLU A 25 -16.161 9.532 -3.220 1.00 44.23 C ATOM 426 CD GLU A 25 -16.958 10.615 -3.927 1.00 74.31 C ATOM 427 OE1 GLU A 25 -16.895 11.797 -3.511 1.00 11.40 O ATOM 428 OE2 GLU A 25 -17.541 10.294 -4.988 1.00 10.02 O ATOM 0 H GLU A 25 -13.778 8.737 -1.775 1.00 52.01 H new ATOM 0 HA GLU A 25 -14.829 11.400 -1.634 1.00 1.32 H new ATOM 0 HB2 GLU A 25 -16.071 8.661 -1.258 1.00 53.01 H new ATOM 0 HB3 GLU A 25 -16.960 10.169 -1.330 1.00 53.01 H new ATOM 0 HG2 GLU A 25 -15.150 9.526 -3.629 1.00 44.23 H new ATOM 0 HG3 GLU A 25 -16.607 8.566 -3.457 1.00 44.23 H new ATOM 435 N GLN A 26 -14.791 9.473 1.120 1.00 70.14 N ATOM 436 CA GLN A 26 -14.850 9.564 2.582 1.00 2.44 C ATOM 437 C GLN A 26 -13.569 10.133 3.204 1.00 53.31 C ATOM 438 O GLN A 26 -13.651 10.828 4.219 1.00 2.13 O ATOM 439 CB GLN A 26 -15.238 8.221 3.219 1.00 22.30 C ATOM 440 CG GLN A 26 -14.264 7.062 3.020 1.00 34.30 C ATOM 441 CD GLN A 26 -14.866 5.757 3.543 1.00 71.32 C ATOM 442 OE1 GLN A 26 -14.690 5.402 4.704 1.00 61.33 O ATOM 443 NE2 GLN A 26 -15.612 5.038 2.722 1.00 3.02 N ATOM 0 H GLN A 26 -14.679 8.527 0.757 1.00 70.14 H new ATOM 0 HA GLN A 26 -15.640 10.281 2.806 1.00 2.44 H new ATOM 0 HB2 GLN A 26 -15.367 8.377 4.290 1.00 22.30 H new ATOM 0 HB3 GLN A 26 -16.208 7.923 2.821 1.00 22.30 H new ATOM 0 HG2 GLN A 26 -14.024 6.959 1.962 1.00 34.30 H new ATOM 0 HG3 GLN A 26 -13.329 7.272 3.540 1.00 34.30 H new ATOM 0 HE21 GLN A 26 -15.751 5.344 1.759 1.00 3.02 H new ATOM 0 HE22 GLN A 26 -16.049 4.177 3.052 1.00 3.02 H new ATOM 452 N HIS A 27 -12.402 9.902 2.597 1.00 70.52 N ATOM 453 CA HIS A 27 -11.107 10.369 3.083 1.00 43.34 C ATOM 454 C HIS A 27 -10.325 11.098 1.975 1.00 42.13 C ATOM 455 O HIS A 27 -9.318 10.584 1.477 1.00 61.13 O ATOM 456 CB HIS A 27 -10.313 9.200 3.696 1.00 42.45 C ATOM 457 CG HIS A 27 -10.957 8.587 4.915 1.00 72.32 C ATOM 458 ND1 HIS A 27 -11.268 7.265 5.090 1.00 53.31 N flip ATOM 459 CD2 HIS A 27 -11.367 9.258 6.045 1.00 42.04 C flip ATOM 460 CE1 HIS A 27 -11.862 7.131 6.346 1.00 24.41 C flip ATOM 461 NE2 HIS A 27 -11.909 8.358 6.881 1.00 64.45 N flip ATOM 0 H HIS A 27 -12.333 9.370 1.730 1.00 70.52 H new ATOM 0 HA HIS A 27 -11.272 11.101 3.874 1.00 43.34 H new ATOM 0 HB2 HIS A 27 -10.184 8.426 2.939 1.00 42.45 H new ATOM 0 HB3 HIS A 27 -9.317 9.553 3.964 1.00 42.45 H new ATOM 0 HD2 HIS A 27 -11.270 10.318 6.226 1.00 42.04 H new ATOM 0 HE1 HIS A 27 -12.215 6.216 6.798 1.00 24.41 H new ATOM 0 HE2 HIS A 27 -12.302 8.578 7.796 1.00 64.45 H new ATOM 469 N PRO A 28 -10.723 12.328 1.599 1.00 11.34 N ATOM 470 CA PRO A 28 -10.033 13.107 0.570 1.00 74.55 C ATOM 471 C PRO A 28 -8.638 13.546 1.026 1.00 64.55 C ATOM 472 O PRO A 28 -7.802 13.920 0.206 1.00 63.33 O ATOM 473 CB PRO A 28 -10.940 14.305 0.286 1.00 2.31 C ATOM 474 CG PRO A 28 -11.700 14.499 1.596 1.00 32.54 C ATOM 475 CD PRO A 28 -11.874 13.065 2.096 1.00 51.03 C ATOM 0 HA PRO A 28 -9.863 12.514 -0.329 1.00 74.55 H new ATOM 0 HB2 PRO A 28 -10.363 15.191 0.022 1.00 2.31 H new ATOM 0 HB3 PRO A 28 -11.617 14.107 -0.545 1.00 2.31 H new ATOM 0 HG2 PRO A 28 -11.139 15.110 2.303 1.00 32.54 H new ATOM 0 HG3 PRO A 28 -12.659 14.993 1.439 1.00 32.54 H new ATOM 0 HD2 PRO A 28 -11.918 13.033 3.185 1.00 51.03 H new ATOM 0 HD3 PRO A 28 -12.804 12.633 1.727 1.00 51.03 H new ATOM 483 N THR A 29 -8.354 13.432 2.321 1.00 51.15 N ATOM 484 CA THR A 29 -7.097 13.783 2.951 1.00 52.11 C ATOM 485 C THR A 29 -6.121 12.596 2.952 1.00 71.51 C ATOM 486 O THR A 29 -5.011 12.703 3.481 1.00 4.02 O ATOM 487 CB THR A 29 -7.446 14.238 4.379 1.00 30.23 C ATOM 488 OG1 THR A 29 -8.290 13.278 5.004 1.00 10.23 O ATOM 489 CG2 THR A 29 -8.210 15.568 4.362 1.00 30.41 C ATOM 0 H THR A 29 -9.035 13.072 2.989 1.00 51.15 H new ATOM 0 HA THR A 29 -6.589 14.578 2.405 1.00 52.11 H new ATOM 0 HB THR A 29 -6.507 14.350 4.922 1.00 30.23 H new ATOM 0 HG1 THR A 29 -8.506 13.575 5.913 1.00 10.23 H new ATOM 0 HG21 THR A 29 -8.444 15.866 5.384 1.00 30.41 H new ATOM 0 HG22 THR A 29 -7.595 16.335 3.892 1.00 30.41 H new ATOM 0 HG23 THR A 29 -9.135 15.449 3.798 1.00 30.41 H new ATOM 497 N LYS A 30 -6.502 11.454 2.356 1.00 13.34 N ATOM 498 CA LYS A 30 -5.677 10.256 2.300 1.00 54.43 C ATOM 499 C LYS A 30 -5.394 9.860 0.863 1.00 71.53 C ATOM 500 O LYS A 30 -6.233 9.996 -0.030 1.00 41.12 O ATOM 501 CB LYS A 30 -6.364 9.108 3.058 1.00 62.42 C ATOM 502 CG LYS A 30 -6.351 9.230 4.592 1.00 53.45 C ATOM 503 CD LYS A 30 -4.920 9.399 5.119 1.00 10.03 C ATOM 504 CE LYS A 30 -4.548 8.668 6.407 1.00 61.51 C ATOM 505 NZ LYS A 30 -5.341 9.083 7.576 1.00 72.35 N ATOM 0 H LYS A 30 -7.406 11.345 1.896 1.00 13.34 H new ATOM 0 HA LYS A 30 -4.722 10.469 2.780 1.00 54.43 H new ATOM 0 HB2 LYS A 30 -7.400 9.043 2.724 1.00 62.42 H new ATOM 0 HB3 LYS A 30 -5.880 8.171 2.781 1.00 62.42 H new ATOM 0 HG2 LYS A 30 -6.958 10.082 4.898 1.00 53.45 H new ATOM 0 HG3 LYS A 30 -6.803 8.342 5.035 1.00 53.45 H new ATOM 0 HD2 LYS A 30 -4.234 9.072 4.338 1.00 10.03 H new ATOM 0 HD3 LYS A 30 -4.743 10.463 5.274 1.00 10.03 H new ATOM 0 HE2 LYS A 30 -4.675 7.596 6.255 1.00 61.51 H new ATOM 0 HE3 LYS A 30 -3.492 8.837 6.618 1.00 61.51 H new ATOM 0 HZ1 LYS A 30 -4.715 9.190 8.400 1.00 72.35 H new ATOM 0 HZ2 LYS A 30 -5.807 9.991 7.375 1.00 72.35 H new ATOM 0 HZ3 LYS A 30 -6.062 8.362 7.780 1.00 72.35 H new ATOM 519 N ILE A 31 -4.205 9.309 0.657 1.00 34.22 N ATOM 520 CA ILE A 31 -3.688 8.852 -0.615 1.00 33.22 C ATOM 521 C ILE A 31 -3.883 7.330 -0.671 1.00 41.33 C ATOM 522 O ILE A 31 -3.322 6.626 0.181 1.00 12.33 O ATOM 523 CB ILE A 31 -2.203 9.260 -0.768 1.00 42.01 C ATOM 524 CG1 ILE A 31 -2.075 10.806 -0.772 1.00 33.52 C ATOM 525 CG2 ILE A 31 -1.648 8.650 -2.066 1.00 21.12 C ATOM 526 CD1 ILE A 31 -0.676 11.323 -1.083 1.00 3.13 C ATOM 0 H ILE A 31 -3.543 9.163 1.419 1.00 34.22 H new ATOM 0 HA ILE A 31 -4.220 9.313 -1.447 1.00 33.22 H new ATOM 0 HB ILE A 31 -1.622 8.882 0.073 1.00 42.01 H new ATOM 0 HG12 ILE A 31 -2.771 11.214 -1.505 1.00 33.52 H new ATOM 0 HG13 ILE A 31 -2.381 11.186 0.203 1.00 33.52 H new ATOM 0 HG21 ILE A 31 -0.602 8.932 -2.182 1.00 21.12 H new ATOM 0 HG22 ILE A 31 -1.728 7.564 -2.021 1.00 21.12 H new ATOM 0 HG23 ILE A 31 -2.220 9.021 -2.916 1.00 21.12 H new ATOM 0 HD11 ILE A 31 -0.678 12.413 -1.065 1.00 3.13 H new ATOM 0 HD12 ILE A 31 0.024 10.949 -0.336 1.00 3.13 H new ATOM 0 HD13 ILE A 31 -0.372 10.977 -2.071 1.00 3.13 H new ATOM 538 N PRO A 32 -4.672 6.820 -1.637 1.00 31.41 N ATOM 539 CA PRO A 32 -4.922 5.398 -1.816 1.00 44.25 C ATOM 540 C PRO A 32 -3.722 4.766 -2.541 1.00 33.54 C ATOM 541 O PRO A 32 -3.524 4.875 -3.759 1.00 5.21 O ATOM 542 CB PRO A 32 -6.194 5.328 -2.654 1.00 65.24 C ATOM 543 CG PRO A 32 -6.100 6.575 -3.535 1.00 31.23 C ATOM 544 CD PRO A 32 -5.375 7.586 -2.656 1.00 33.53 C ATOM 0 HA PRO A 32 -5.045 4.855 -0.879 1.00 44.25 H new ATOM 0 HB2 PRO A 32 -6.234 4.416 -3.250 1.00 65.24 H new ATOM 0 HB3 PRO A 32 -7.088 5.341 -2.031 1.00 65.24 H new ATOM 0 HG2 PRO A 32 -5.548 6.375 -4.454 1.00 31.23 H new ATOM 0 HG3 PRO A 32 -7.087 6.934 -3.827 1.00 31.23 H new ATOM 0 HD2 PRO A 32 -4.677 8.181 -3.244 1.00 33.53 H new ATOM 0 HD3 PRO A 32 -6.081 8.281 -2.201 1.00 33.53 H new ATOM 552 N VAL A 33 -2.945 4.012 -1.780 1.00 54.35 N ATOM 553 CA VAL A 33 -1.753 3.344 -2.263 1.00 71.21 C ATOM 554 C VAL A 33 -1.825 1.864 -1.924 1.00 10.14 C ATOM 555 O VAL A 33 -2.500 1.472 -0.969 1.00 41.45 O ATOM 556 CB VAL A 33 -0.528 4.092 -1.717 1.00 33.14 C ATOM 557 CG1 VAL A 33 -0.511 4.137 -0.186 1.00 44.23 C ATOM 558 CG2 VAL A 33 0.789 3.512 -2.226 1.00 4.04 C ATOM 0 H VAL A 33 -3.131 3.846 -0.791 1.00 54.35 H new ATOM 0 HA VAL A 33 -1.667 3.375 -3.349 1.00 71.21 H new ATOM 0 HB VAL A 33 -0.621 5.110 -2.094 1.00 33.14 H new ATOM 0 HG11 VAL A 33 0.374 4.676 0.152 1.00 44.23 H new ATOM 0 HG12 VAL A 33 -1.405 4.646 0.173 1.00 44.23 H new ATOM 0 HG13 VAL A 33 -0.489 3.121 0.208 1.00 44.23 H new ATOM 0 HG21 VAL A 33 1.621 4.079 -1.809 1.00 4.04 H new ATOM 0 HG22 VAL A 33 0.870 2.469 -1.919 1.00 4.04 H new ATOM 0 HG23 VAL A 33 0.817 3.573 -3.314 1.00 4.04 H new ATOM 568 N ILE A 34 -1.203 1.030 -2.738 1.00 44.32 N ATOM 569 CA ILE A 34 -1.152 -0.403 -2.580 1.00 24.32 C ATOM 570 C ILE A 34 0.268 -0.754 -2.163 1.00 23.13 C ATOM 571 O ILE A 34 1.221 -0.238 -2.744 1.00 74.14 O ATOM 572 CB ILE A 34 -1.546 -1.101 -3.890 1.00 4.42 C ATOM 573 CG1 ILE A 34 -2.939 -0.684 -4.411 1.00 1.42 C ATOM 574 CG2 ILE A 34 -1.455 -2.629 -3.754 1.00 4.02 C ATOM 575 CD1 ILE A 34 -4.096 -0.883 -3.430 1.00 52.24 C ATOM 0 H ILE A 34 -0.698 1.353 -3.563 1.00 44.32 H new ATOM 0 HA ILE A 34 -1.858 -0.742 -1.822 1.00 24.32 H new ATOM 0 HB ILE A 34 -0.823 -0.768 -4.635 1.00 4.42 H new ATOM 0 HG12 ILE A 34 -2.902 0.368 -4.693 1.00 1.42 H new ATOM 0 HG13 ILE A 34 -3.153 -1.250 -5.318 1.00 1.42 H new ATOM 0 HG21 ILE A 34 -1.740 -3.096 -4.697 1.00 4.02 H new ATOM 0 HG22 ILE A 34 -0.433 -2.912 -3.503 1.00 4.02 H new ATOM 0 HG23 ILE A 34 -2.128 -2.965 -2.965 1.00 4.02 H new ATOM 0 HD11 ILE A 34 -5.027 -0.559 -3.895 1.00 52.24 H new ATOM 0 HD12 ILE A 34 -4.171 -1.938 -3.164 1.00 52.24 H new ATOM 0 HD13 ILE A 34 -3.916 -0.294 -2.531 1.00 52.24 H new ATOM 587 N ILE A 35 0.396 -1.600 -1.147 1.00 31.51 N ATOM 588 CA ILE A 35 1.656 -2.083 -0.614 1.00 31.14 C ATOM 589 C ILE A 35 1.649 -3.575 -0.931 1.00 61.11 C ATOM 590 O ILE A 35 0.764 -4.313 -0.487 1.00 55.22 O ATOM 591 CB ILE A 35 1.769 -1.782 0.895 1.00 13.33 C ATOM 592 CG1 ILE A 35 1.523 -0.298 1.239 1.00 52.24 C ATOM 593 CG2 ILE A 35 3.123 -2.244 1.459 1.00 34.33 C ATOM 594 CD1 ILE A 35 2.450 0.747 0.630 1.00 74.23 C ATOM 0 H ILE A 35 -0.412 -1.982 -0.655 1.00 31.51 H new ATOM 0 HA ILE A 35 2.526 -1.593 -1.052 1.00 31.14 H new ATOM 0 HB ILE A 35 0.973 -2.355 1.372 1.00 13.33 H new ATOM 0 HG12 ILE A 35 0.504 -0.052 0.942 1.00 52.24 H new ATOM 0 HG13 ILE A 35 1.572 -0.195 2.323 1.00 52.24 H new ATOM 0 HG21 ILE A 35 3.170 -2.017 2.524 1.00 34.33 H new ATOM 0 HG22 ILE A 35 3.231 -3.319 1.312 1.00 34.33 H new ATOM 0 HG23 ILE A 35 3.929 -1.724 0.941 1.00 34.33 H new ATOM 0 HD11 ILE A 35 2.149 1.740 0.965 1.00 74.23 H new ATOM 0 HD12 ILE A 35 3.475 0.552 0.946 1.00 74.23 H new ATOM 0 HD13 ILE A 35 2.390 0.698 -0.457 1.00 74.23 H new ATOM 606 N GLU A 36 2.626 -4.028 -1.705 1.00 44.33 N ATOM 607 CA GLU A 36 2.772 -5.413 -2.120 1.00 42.22 C ATOM 608 C GLU A 36 4.218 -5.854 -1.933 1.00 64.52 C ATOM 609 O GLU A 36 5.157 -5.063 -1.992 1.00 33.14 O ATOM 610 CB GLU A 36 2.336 -5.488 -3.584 1.00 75.15 C ATOM 611 CG GLU A 36 2.361 -6.857 -4.267 1.00 23.33 C ATOM 612 CD GLU A 36 1.426 -6.869 -5.483 1.00 63.35 C ATOM 613 OE1 GLU A 36 1.694 -6.198 -6.507 1.00 53.03 O ATOM 614 OE2 GLU A 36 0.383 -7.557 -5.383 1.00 22.31 O ATOM 0 H GLU A 36 3.360 -3.422 -2.071 1.00 44.33 H new ATOM 0 HA GLU A 36 2.157 -6.084 -1.521 1.00 42.22 H new ATOM 0 HB2 GLU A 36 1.320 -5.099 -3.651 1.00 75.15 H new ATOM 0 HB3 GLU A 36 2.974 -4.816 -4.158 1.00 75.15 H new ATOM 0 HG2 GLU A 36 3.378 -7.095 -4.580 1.00 23.33 H new ATOM 0 HG3 GLU A 36 2.057 -7.628 -3.560 1.00 23.33 H new ATOM 621 N ARG A 37 4.398 -7.134 -1.648 1.00 63.33 N ATOM 622 CA ARG A 37 5.707 -7.715 -1.463 1.00 43.05 C ATOM 623 C ARG A 37 6.154 -8.147 -2.852 1.00 3.01 C ATOM 624 O ARG A 37 5.348 -8.760 -3.563 1.00 13.33 O ATOM 625 CB ARG A 37 5.591 -8.870 -0.476 1.00 42.32 C ATOM 626 CG ARG A 37 7.000 -9.400 -0.195 1.00 4.10 C ATOM 627 CD ARG A 37 6.996 -10.813 0.365 1.00 11.43 C ATOM 628 NE ARG A 37 6.285 -11.714 -0.537 1.00 20.51 N ATOM 629 CZ ARG A 37 6.089 -13.025 -0.324 1.00 21.13 C ATOM 630 NH1 ARG A 37 6.473 -13.610 0.810 1.00 34.24 N ATOM 631 NH2 ARG A 37 5.489 -13.753 -1.252 1.00 75.22 N ATOM 0 H ARG A 37 3.632 -7.798 -1.539 1.00 63.33 H new ATOM 0 HA ARG A 37 6.444 -7.031 -1.042 1.00 43.05 H new ATOM 0 HB2 ARG A 37 5.119 -8.535 0.448 1.00 42.32 H new ATOM 0 HB3 ARG A 37 4.962 -9.660 -0.887 1.00 42.32 H new ATOM 0 HG2 ARG A 37 7.581 -9.381 -1.117 1.00 4.10 H new ATOM 0 HG3 ARG A 37 7.499 -8.736 0.510 1.00 4.10 H new ATOM 0 HD2 ARG A 37 8.020 -11.160 0.503 1.00 11.43 H new ATOM 0 HD3 ARG A 37 6.522 -10.821 1.346 1.00 11.43 H new ATOM 0 HE ARG A 37 5.907 -11.316 -1.397 1.00 20.51 H new ATOM 0 HH11 ARG A 37 6.927 -13.060 1.539 1.00 34.24 H new ATOM 0 HH12 ARG A 37 6.313 -14.608 0.949 1.00 34.24 H new ATOM 0 HH21 ARG A 37 5.180 -13.317 -2.121 1.00 75.22 H new ATOM 0 HH22 ARG A 37 5.336 -14.750 -1.098 1.00 75.22 H new ATOM 645 N TYR A 38 7.397 -7.861 -3.234 1.00 1.20 N ATOM 646 CA TYR A 38 7.895 -8.253 -4.543 1.00 53.33 C ATOM 647 C TYR A 38 7.761 -9.764 -4.741 1.00 13.41 C ATOM 648 O TYR A 38 7.804 -10.532 -3.774 1.00 31.43 O ATOM 649 CB TYR A 38 9.349 -7.810 -4.697 1.00 71.44 C ATOM 650 CG TYR A 38 9.960 -8.139 -6.042 1.00 21.32 C ATOM 651 CD1 TYR A 38 9.298 -7.796 -7.238 1.00 42.25 C ATOM 652 CD2 TYR A 38 11.187 -8.823 -6.091 1.00 1.03 C ATOM 653 CE1 TYR A 38 9.848 -8.165 -8.478 1.00 21.14 C ATOM 654 CE2 TYR A 38 11.747 -9.181 -7.326 1.00 23.43 C ATOM 655 CZ TYR A 38 11.077 -8.857 -8.525 1.00 42.01 C ATOM 656 OH TYR A 38 11.603 -9.222 -9.721 1.00 73.35 O ATOM 0 H TYR A 38 8.072 -7.361 -2.656 1.00 1.20 H new ATOM 0 HA TYR A 38 7.297 -7.762 -5.311 1.00 53.33 H new ATOM 0 HB2 TYR A 38 9.408 -6.733 -4.538 1.00 71.44 H new ATOM 0 HB3 TYR A 38 9.945 -8.281 -3.915 1.00 71.44 H new ATOM 0 HD1 TYR A 38 8.367 -7.249 -7.202 1.00 42.25 H new ATOM 0 HD2 TYR A 38 11.700 -9.074 -5.174 1.00 1.03 H new ATOM 0 HE1 TYR A 38 9.331 -7.919 -9.394 1.00 21.14 H new ATOM 0 HE2 TYR A 38 12.691 -9.705 -7.359 1.00 23.43 H new ATOM 0 HH TYR A 38 12.452 -9.689 -9.576 1.00 73.35 H new ATOM 666 N LYS A 39 7.616 -10.226 -5.984 1.00 41.42 N ATOM 667 CA LYS A 39 7.491 -11.652 -6.262 1.00 62.31 C ATOM 668 C LYS A 39 8.785 -12.404 -5.958 1.00 42.14 C ATOM 669 O LYS A 39 8.723 -13.584 -5.620 1.00 1.04 O ATOM 670 CB LYS A 39 6.984 -11.904 -7.687 1.00 61.45 C ATOM 671 CG LYS A 39 7.987 -11.577 -8.805 1.00 40.03 C ATOM 672 CD LYS A 39 7.435 -11.927 -10.192 1.00 61.55 C ATOM 673 CE LYS A 39 7.215 -13.438 -10.341 1.00 13.41 C ATOM 674 NZ LYS A 39 6.819 -13.822 -11.709 1.00 43.00 N ATOM 0 H LYS A 39 7.583 -9.631 -6.812 1.00 41.42 H new ATOM 0 HA LYS A 39 6.736 -12.054 -5.586 1.00 62.31 H new ATOM 0 HB2 LYS A 39 6.697 -12.952 -7.773 1.00 61.45 H new ATOM 0 HB3 LYS A 39 6.082 -11.312 -7.845 1.00 61.45 H new ATOM 0 HG2 LYS A 39 8.235 -10.516 -8.771 1.00 40.03 H new ATOM 0 HG3 LYS A 39 8.913 -12.127 -8.634 1.00 40.03 H new ATOM 0 HD2 LYS A 39 6.493 -11.403 -10.353 1.00 61.55 H new ATOM 0 HD3 LYS A 39 8.128 -11.581 -10.959 1.00 61.55 H new ATOM 0 HE2 LYS A 39 8.131 -13.963 -10.071 1.00 13.41 H new ATOM 0 HE3 LYS A 39 6.445 -13.760 -9.640 1.00 13.41 H new ATOM 0 HZ1 LYS A 39 6.683 -14.852 -11.755 1.00 43.00 H new ATOM 0 HZ2 LYS A 39 5.930 -13.344 -11.960 1.00 43.00 H new ATOM 0 HZ3 LYS A 39 7.564 -13.541 -12.378 1.00 43.00 H new ATOM 688 N GLY A 40 9.942 -11.752 -6.044 1.00 74.14 N ATOM 689 CA GLY A 40 11.223 -12.373 -5.753 1.00 23.41 C ATOM 690 C GLY A 40 11.575 -12.253 -4.271 1.00 0.41 C ATOM 691 O GLY A 40 12.663 -12.670 -3.878 1.00 71.11 O ATOM 0 H GLY A 40 10.013 -10.772 -6.319 1.00 74.14 H new ATOM 0 HA2 GLY A 40 11.193 -13.425 -6.038 1.00 23.41 H new ATOM 0 HA3 GLY A 40 12.002 -11.903 -6.353 1.00 23.41 H new ATOM 695 N GLU A 41 10.706 -11.668 -3.435 1.00 1.12 N ATOM 696 CA GLU A 41 10.990 -11.505 -2.030 1.00 74.45 C ATOM 697 C GLU A 41 10.680 -12.807 -1.287 1.00 23.21 C ATOM 698 O GLU A 41 9.622 -13.415 -1.480 1.00 23.25 O ATOM 699 CB GLU A 41 10.150 -10.342 -1.516 1.00 54.41 C ATOM 700 CG GLU A 41 10.513 -9.879 -0.104 1.00 24.43 C ATOM 701 CD GLU A 41 12.021 -9.836 0.119 1.00 41.43 C ATOM 702 OE1 GLU A 41 12.658 -8.831 -0.241 1.00 73.22 O ATOM 703 OE2 GLU A 41 12.539 -10.846 0.638 1.00 43.44 O ATOM 0 H GLU A 41 9.799 -11.303 -3.724 1.00 1.12 H new ATOM 0 HA GLU A 41 12.044 -11.283 -1.862 1.00 74.45 H new ATOM 0 HB2 GLU A 41 10.258 -9.501 -2.201 1.00 54.41 H new ATOM 0 HB3 GLU A 41 9.100 -10.633 -1.532 1.00 54.41 H new ATOM 0 HG2 GLU A 41 10.093 -8.888 0.071 1.00 24.43 H new ATOM 0 HG3 GLU A 41 10.059 -10.551 0.625 1.00 24.43 H new ATOM 710 N LYS A 42 11.618 -13.241 -0.449 1.00 12.00 N ATOM 711 CA LYS A 42 11.534 -14.448 0.369 1.00 2.45 C ATOM 712 C LYS A 42 12.125 -14.217 1.761 1.00 20.43 C ATOM 713 O LYS A 42 11.840 -15.024 2.647 1.00 62.20 O ATOM 714 CB LYS A 42 12.278 -15.606 -0.327 1.00 62.52 C ATOM 715 CG LYS A 42 11.503 -16.335 -1.440 1.00 3.24 C ATOM 716 CD LYS A 42 10.390 -17.234 -0.878 1.00 2.22 C ATOM 717 CE LYS A 42 9.771 -18.118 -1.969 1.00 64.41 C ATOM 718 NZ LYS A 42 8.703 -18.998 -1.441 1.00 21.41 N ATOM 0 H LYS A 42 12.496 -12.739 -0.316 1.00 12.00 H new ATOM 0 HA LYS A 42 10.481 -14.706 0.484 1.00 2.45 H new ATOM 0 HB2 LYS A 42 13.202 -15.214 -0.752 1.00 62.52 H new ATOM 0 HB3 LYS A 42 12.560 -16.337 0.430 1.00 62.52 H new ATOM 0 HG2 LYS A 42 11.067 -15.601 -2.118 1.00 3.24 H new ATOM 0 HG3 LYS A 42 12.195 -16.940 -2.026 1.00 3.24 H new ATOM 0 HD2 LYS A 42 10.795 -17.863 -0.086 1.00 2.22 H new ATOM 0 HD3 LYS A 42 9.614 -16.615 -0.427 1.00 2.22 H new ATOM 0 HE2 LYS A 42 9.361 -17.486 -2.757 1.00 64.41 H new ATOM 0 HE3 LYS A 42 10.550 -18.729 -2.424 1.00 64.41 H new ATOM 0 HZ1 LYS A 42 8.315 -19.576 -2.214 1.00 21.41 H new ATOM 0 HZ2 LYS A 42 9.097 -19.621 -0.708 1.00 21.41 H new ATOM 0 HZ3 LYS A 42 7.945 -18.416 -1.030 1.00 21.41 H new ATOM 732 N GLN A 43 12.956 -13.193 1.971 1.00 4.43 N ATOM 733 CA GLN A 43 13.569 -12.898 3.255 1.00 13.00 C ATOM 734 C GLN A 43 12.719 -11.909 4.057 1.00 14.24 C ATOM 735 O GLN A 43 12.763 -11.958 5.289 1.00 62.41 O ATOM 736 CB GLN A 43 15.017 -12.402 3.095 1.00 43.32 C ATOM 737 CG GLN A 43 15.210 -11.131 2.247 1.00 12.43 C ATOM 738 CD GLN A 43 15.569 -11.357 0.771 1.00 61.23 C ATOM 739 OE1 GLN A 43 16.197 -10.516 0.143 1.00 42.14 O ATOM 740 NE2 GLN A 43 15.278 -12.495 0.155 1.00 33.14 N ATOM 0 H GLN A 43 13.222 -12.538 1.236 1.00 4.43 H new ATOM 0 HA GLN A 43 13.613 -13.829 3.819 1.00 13.00 H new ATOM 0 HB2 GLN A 43 15.428 -12.217 4.088 1.00 43.32 H new ATOM 0 HB3 GLN A 43 15.607 -13.204 2.650 1.00 43.32 H new ATOM 0 HG2 GLN A 43 14.292 -10.545 2.292 1.00 12.43 H new ATOM 0 HG3 GLN A 43 15.995 -10.529 2.704 1.00 12.43 H new ATOM 0 HE21 GLN A 43 14.756 -13.221 0.645 1.00 33.14 H new ATOM 0 HE22 GLN A 43 15.577 -12.644 -0.809 1.00 33.14 H new ATOM 749 N LEU A 44 11.970 -11.009 3.404 1.00 33.54 N ATOM 750 CA LEU A 44 11.135 -10.039 4.109 1.00 75.32 C ATOM 751 C LEU A 44 9.729 -10.617 4.341 1.00 22.53 C ATOM 752 O LEU A 44 9.223 -11.366 3.499 1.00 60.14 O ATOM 753 CB LEU A 44 11.007 -8.708 3.348 1.00 74.23 C ATOM 754 CG LEU A 44 12.319 -7.941 3.130 1.00 32.52 C ATOM 755 CD1 LEU A 44 12.003 -6.680 2.328 1.00 42.21 C ATOM 756 CD2 LEU A 44 12.985 -7.521 4.444 1.00 63.54 C ATOM 0 H LEU A 44 11.929 -10.937 2.387 1.00 33.54 H new ATOM 0 HA LEU A 44 11.626 -9.838 5.061 1.00 75.32 H new ATOM 0 HB2 LEU A 44 10.558 -8.908 2.375 1.00 74.23 H new ATOM 0 HB3 LEU A 44 10.316 -8.064 3.892 1.00 74.23 H new ATOM 0 HG LEU A 44 13.010 -8.602 2.607 1.00 32.52 H new ATOM 0 HD11 LEU A 44 12.921 -6.116 2.160 1.00 42.21 H new ATOM 0 HD12 LEU A 44 11.567 -6.959 1.369 1.00 42.21 H new ATOM 0 HD13 LEU A 44 11.295 -6.064 2.883 1.00 42.21 H new ATOM 0 HD21 LEU A 44 13.908 -6.983 4.228 1.00 63.54 H new ATOM 0 HD22 LEU A 44 12.310 -6.874 5.004 1.00 63.54 H new ATOM 0 HD23 LEU A 44 13.212 -8.407 5.036 1.00 63.54 H new ATOM 768 N PRO A 45 9.060 -10.256 5.450 1.00 0.13 N ATOM 769 CA PRO A 45 7.720 -10.741 5.747 1.00 32.14 C ATOM 770 C PRO A 45 6.674 -10.045 4.860 1.00 20.13 C ATOM 771 O PRO A 45 6.921 -8.958 4.323 1.00 61.35 O ATOM 772 CB PRO A 45 7.512 -10.459 7.237 1.00 12.42 C ATOM 773 CG PRO A 45 8.415 -9.262 7.532 1.00 23.30 C ATOM 774 CD PRO A 45 9.548 -9.390 6.512 1.00 52.43 C ATOM 0 HA PRO A 45 7.605 -11.804 5.536 1.00 32.14 H new ATOM 0 HB2 PRO A 45 6.469 -10.232 7.456 1.00 12.42 H new ATOM 0 HB3 PRO A 45 7.785 -11.321 7.846 1.00 12.42 H new ATOM 0 HG2 PRO A 45 7.879 -8.320 7.416 1.00 23.30 H new ATOM 0 HG3 PRO A 45 8.793 -9.290 8.554 1.00 23.30 H new ATOM 0 HD2 PRO A 45 9.825 -8.413 6.117 1.00 52.43 H new ATOM 0 HD3 PRO A 45 10.440 -9.811 6.976 1.00 52.43 H new ATOM 782 N VAL A 46 5.505 -10.669 4.691 1.00 71.22 N ATOM 783 CA VAL A 46 4.405 -10.141 3.886 1.00 61.13 C ATOM 784 C VAL A 46 3.504 -9.243 4.749 1.00 54.05 C ATOM 785 O VAL A 46 3.433 -9.414 5.968 1.00 14.24 O ATOM 786 CB VAL A 46 3.653 -11.296 3.187 1.00 42.25 C ATOM 787 CG1 VAL A 46 2.875 -12.211 4.140 1.00 73.40 C ATOM 788 CG2 VAL A 46 2.710 -10.763 2.098 1.00 31.33 C ATOM 0 H VAL A 46 5.295 -11.571 5.118 1.00 71.22 H new ATOM 0 HA VAL A 46 4.792 -9.507 3.088 1.00 61.13 H new ATOM 0 HB VAL A 46 4.435 -11.909 2.738 1.00 42.25 H new ATOM 0 HG11 VAL A 46 2.377 -12.994 3.568 1.00 73.40 H new ATOM 0 HG12 VAL A 46 3.564 -12.665 4.852 1.00 73.40 H new ATOM 0 HG13 VAL A 46 2.130 -11.626 4.679 1.00 73.40 H new ATOM 0 HG21 VAL A 46 2.194 -11.598 1.623 1.00 31.33 H new ATOM 0 HG22 VAL A 46 1.978 -10.092 2.547 1.00 31.33 H new ATOM 0 HG23 VAL A 46 3.288 -10.221 1.350 1.00 31.33 H new ATOM 798 N LEU A 47 2.835 -8.274 4.119 1.00 72.21 N ATOM 799 CA LEU A 47 1.919 -7.339 4.761 1.00 74.12 C ATOM 800 C LEU A 47 0.625 -8.051 5.157 1.00 21.52 C ATOM 801 O LEU A 47 0.359 -9.175 4.736 1.00 64.44 O ATOM 802 CB LEU A 47 1.622 -6.155 3.811 1.00 35.10 C ATOM 803 CG LEU A 47 1.997 -4.759 4.342 1.00 20.10 C ATOM 804 CD1 LEU A 47 1.380 -4.441 5.713 1.00 43.03 C ATOM 805 CD2 LEU A 47 3.518 -4.599 4.360 1.00 34.33 C ATOM 0 H LEU A 47 2.922 -8.117 3.115 1.00 72.21 H new ATOM 0 HA LEU A 47 2.385 -6.950 5.666 1.00 74.12 H new ATOM 0 HB2 LEU A 47 2.155 -6.322 2.875 1.00 35.10 H new ATOM 0 HB3 LEU A 47 0.557 -6.160 3.577 1.00 35.10 H new ATOM 0 HG LEU A 47 1.568 -4.029 3.656 1.00 20.10 H new ATOM 0 HD11 LEU A 47 1.685 -3.443 6.027 1.00 43.03 H new ATOM 0 HD12 LEU A 47 0.293 -4.482 5.641 1.00 43.03 H new ATOM 0 HD13 LEU A 47 1.723 -5.172 6.445 1.00 43.03 H new ATOM 0 HD21 LEU A 47 3.775 -3.609 4.737 1.00 34.33 H new ATOM 0 HD22 LEU A 47 3.956 -5.359 5.007 1.00 34.33 H new ATOM 0 HD23 LEU A 47 3.908 -4.715 3.349 1.00 34.33 H new ATOM 817 N ASP A 48 -0.172 -7.387 5.993 1.00 64.23 N ATOM 818 CA ASP A 48 -1.461 -7.898 6.460 1.00 21.31 C ATOM 819 C ASP A 48 -2.552 -7.656 5.418 1.00 73.34 C ATOM 820 O ASP A 48 -3.458 -8.472 5.238 1.00 40.32 O ATOM 821 CB ASP A 48 -1.841 -7.152 7.746 1.00 0.23 C ATOM 822 CG ASP A 48 -3.280 -7.421 8.195 1.00 71.55 C ATOM 823 OD1 ASP A 48 -3.603 -8.594 8.500 1.00 0.02 O ATOM 824 OD2 ASP A 48 -4.043 -6.440 8.356 1.00 22.14 O ATOM 0 H ASP A 48 0.062 -6.468 6.370 1.00 64.23 H new ATOM 0 HA ASP A 48 -1.374 -8.970 6.636 1.00 21.31 H new ATOM 0 HB2 ASP A 48 -1.158 -7.444 8.543 1.00 0.23 H new ATOM 0 HB3 ASP A 48 -1.710 -6.081 7.590 1.00 0.23 H new ATOM 829 N LYS A 49 -2.481 -6.500 4.758 1.00 41.23 N ATOM 830 CA LYS A 49 -3.420 -6.044 3.738 1.00 34.34 C ATOM 831 C LYS A 49 -2.655 -5.315 2.651 1.00 12.32 C ATOM 832 O LYS A 49 -1.478 -4.997 2.820 1.00 60.13 O ATOM 833 CB LYS A 49 -4.462 -5.112 4.369 1.00 32.51 C ATOM 834 CG LYS A 49 -5.474 -5.841 5.259 1.00 11.20 C ATOM 835 CD LYS A 49 -6.376 -4.885 6.042 1.00 43.24 C ATOM 836 CE LYS A 49 -7.148 -3.877 5.184 1.00 64.43 C ATOM 837 NZ LYS A 49 -8.130 -4.533 4.301 1.00 1.32 N ATOM 0 H LYS A 49 -1.733 -5.827 4.929 1.00 41.23 H new ATOM 0 HA LYS A 49 -3.937 -6.900 3.304 1.00 34.34 H new ATOM 0 HB2 LYS A 49 -3.949 -4.354 4.961 1.00 32.51 H new ATOM 0 HB3 LYS A 49 -4.997 -4.589 3.577 1.00 32.51 H new ATOM 0 HG2 LYS A 49 -6.093 -6.491 4.640 1.00 11.20 H new ATOM 0 HG3 LYS A 49 -4.939 -6.483 5.959 1.00 11.20 H new ATOM 0 HD2 LYS A 49 -7.091 -5.473 6.617 1.00 43.24 H new ATOM 0 HD3 LYS A 49 -5.764 -4.337 6.759 1.00 43.24 H new ATOM 0 HE2 LYS A 49 -7.662 -3.169 5.833 1.00 64.43 H new ATOM 0 HE3 LYS A 49 -6.445 -3.303 4.580 1.00 64.43 H new ATOM 0 HZ1 LYS A 49 -8.628 -3.813 3.740 1.00 1.32 H new ATOM 0 HZ2 LYS A 49 -7.638 -5.190 3.662 1.00 1.32 H new ATOM 0 HZ3 LYS A 49 -8.817 -5.059 4.877 1.00 1.32 H new ATOM 851 N THR A 50 -3.350 -4.975 1.573 1.00 21.21 N ATOM 852 CA THR A 50 -2.762 -4.310 0.430 1.00 43.41 C ATOM 853 C THR A 50 -3.131 -2.839 0.314 1.00 15.02 C ATOM 854 O THR A 50 -2.257 -2.034 0.012 1.00 74.15 O ATOM 855 CB THR A 50 -3.207 -5.087 -0.816 1.00 54.04 C ATOM 856 OG1 THR A 50 -4.616 -5.235 -0.848 1.00 0.01 O ATOM 857 CG2 THR A 50 -2.635 -6.501 -0.798 1.00 13.40 C ATOM 0 H THR A 50 -4.348 -5.158 1.472 1.00 21.21 H new ATOM 0 HA THR A 50 -1.678 -4.311 0.544 1.00 43.41 H new ATOM 0 HB THR A 50 -2.853 -4.522 -1.678 1.00 54.04 H new ATOM 0 HG1 THR A 50 -4.956 -4.943 -1.720 1.00 0.01 H new ATOM 0 HG21 THR A 50 -2.961 -7.037 -1.689 1.00 13.40 H new ATOM 0 HG22 THR A 50 -1.546 -6.453 -0.782 1.00 13.40 H new ATOM 0 HG23 THR A 50 -2.988 -7.025 0.090 1.00 13.40 H new ATOM 865 N LYS A 51 -4.405 -2.478 0.503 1.00 63.44 N ATOM 866 CA LYS A 51 -4.859 -1.101 0.373 1.00 0.30 C ATOM 867 C LYS A 51 -4.503 -0.284 1.612 1.00 22.11 C ATOM 868 O LYS A 51 -4.991 -0.567 2.703 1.00 45.35 O ATOM 869 CB LYS A 51 -6.370 -1.047 0.084 1.00 40.44 C ATOM 870 CG LYS A 51 -6.849 -1.900 -1.105 1.00 15.21 C ATOM 871 CD LYS A 51 -8.261 -1.527 -1.578 1.00 14.04 C ATOM 872 CE LYS A 51 -9.350 -1.778 -0.531 1.00 3.01 C ATOM 873 NZ LYS A 51 -10.675 -1.350 -1.016 1.00 14.21 N ATOM 0 H LYS A 51 -5.145 -3.136 0.750 1.00 63.44 H new ATOM 0 HA LYS A 51 -4.340 -0.654 -0.475 1.00 0.30 H new ATOM 0 HB2 LYS A 51 -6.905 -1.368 0.978 1.00 40.44 H new ATOM 0 HB3 LYS A 51 -6.650 -0.010 -0.099 1.00 40.44 H new ATOM 0 HG2 LYS A 51 -6.151 -1.783 -1.934 1.00 15.21 H new ATOM 0 HG3 LYS A 51 -6.833 -2.952 -0.821 1.00 15.21 H new ATOM 0 HD2 LYS A 51 -8.274 -0.473 -1.857 1.00 14.04 H new ATOM 0 HD3 LYS A 51 -8.496 -2.098 -2.477 1.00 14.04 H new ATOM 0 HE2 LYS A 51 -9.378 -2.839 -0.281 1.00 3.01 H new ATOM 0 HE3 LYS A 51 -9.106 -1.241 0.385 1.00 3.01 H new ATOM 0 HZ1 LYS A 51 -11.414 -1.742 -0.398 1.00 14.21 H new ATOM 0 HZ2 LYS A 51 -10.730 -0.311 -1.006 1.00 14.21 H new ATOM 0 HZ3 LYS A 51 -10.817 -1.694 -1.987 1.00 14.21 H new ATOM 887 N PHE A 52 -3.662 0.732 1.449 1.00 53.05 N ATOM 888 CA PHE A 52 -3.206 1.642 2.486 1.00 5.13 C ATOM 889 C PHE A 52 -3.726 3.054 2.209 1.00 11.34 C ATOM 890 O PHE A 52 -4.068 3.398 1.073 1.00 74.14 O ATOM 891 CB PHE A 52 -1.671 1.623 2.562 1.00 54.21 C ATOM 892 CG PHE A 52 -1.131 0.620 3.558 1.00 74.53 C ATOM 893 CD1 PHE A 52 -1.138 -0.756 3.257 1.00 11.42 C ATOM 894 CD2 PHE A 52 -0.658 1.061 4.808 1.00 14.11 C ATOM 895 CE1 PHE A 52 -0.676 -1.686 4.203 1.00 72.15 C ATOM 896 CE2 PHE A 52 -0.194 0.132 5.753 1.00 74.45 C ATOM 897 CZ PHE A 52 -0.211 -1.241 5.452 1.00 10.31 C ATOM 0 H PHE A 52 -3.260 0.952 0.538 1.00 53.05 H new ATOM 0 HA PHE A 52 -3.599 1.318 3.450 1.00 5.13 H new ATOM 0 HB2 PHE A 52 -1.269 1.396 1.575 1.00 54.21 H new ATOM 0 HB3 PHE A 52 -1.316 2.618 2.830 1.00 54.21 H new ATOM 0 HD1 PHE A 52 -1.499 -1.096 2.298 1.00 11.42 H new ATOM 0 HD2 PHE A 52 -0.652 2.116 5.041 1.00 14.11 H new ATOM 0 HE1 PHE A 52 -0.678 -2.741 3.971 1.00 72.15 H new ATOM 0 HE2 PHE A 52 0.175 0.472 6.709 1.00 74.45 H new ATOM 0 HZ PHE A 52 0.135 -1.956 6.183 1.00 10.31 H new ATOM 907 N LEU A 53 -3.748 3.876 3.261 1.00 42.11 N ATOM 908 CA LEU A 53 -4.191 5.263 3.282 1.00 2.32 C ATOM 909 C LEU A 53 -3.099 6.068 3.971 1.00 41.14 C ATOM 910 O LEU A 53 -2.965 6.053 5.202 1.00 45.24 O ATOM 911 CB LEU A 53 -5.528 5.400 4.026 1.00 71.23 C ATOM 912 CG LEU A 53 -6.741 4.910 3.236 1.00 30.24 C ATOM 913 CD1 LEU A 53 -7.917 4.743 4.206 1.00 53.05 C ATOM 914 CD2 LEU A 53 -7.126 5.850 2.101 1.00 14.30 C ATOM 0 H LEU A 53 -3.435 3.564 4.180 1.00 42.11 H new ATOM 0 HA LEU A 53 -4.357 5.630 2.269 1.00 2.32 H new ATOM 0 HB2 LEU A 53 -5.469 4.843 4.961 1.00 71.23 H new ATOM 0 HB3 LEU A 53 -5.679 6.447 4.288 1.00 71.23 H new ATOM 0 HG LEU A 53 -6.482 3.958 2.772 1.00 30.24 H new ATOM 0 HD11 LEU A 53 -8.793 4.393 3.659 1.00 53.05 H new ATOM 0 HD12 LEU A 53 -7.655 4.016 4.974 1.00 53.05 H new ATOM 0 HD13 LEU A 53 -8.141 5.701 4.675 1.00 53.05 H new ATOM 0 HD21 LEU A 53 -7.993 5.450 1.576 1.00 14.30 H new ATOM 0 HD22 LEU A 53 -7.369 6.832 2.508 1.00 14.30 H new ATOM 0 HD23 LEU A 53 -6.292 5.942 1.406 1.00 14.30 H new ATOM 926 N VAL A 54 -2.299 6.751 3.160 1.00 13.10 N ATOM 927 CA VAL A 54 -1.190 7.568 3.639 1.00 5.31 C ATOM 928 C VAL A 54 -1.649 9.022 3.591 1.00 73.42 C ATOM 929 O VAL A 54 -2.207 9.416 2.570 1.00 43.15 O ATOM 930 CB VAL A 54 0.053 7.308 2.767 1.00 44.04 C ATOM 931 CG1 VAL A 54 1.267 8.114 3.243 1.00 33.10 C ATOM 932 CG2 VAL A 54 0.356 5.801 2.700 1.00 14.02 C ATOM 0 H VAL A 54 -2.402 6.753 2.145 1.00 13.10 H new ATOM 0 HA VAL A 54 -0.909 7.320 4.663 1.00 5.31 H new ATOM 0 HB VAL A 54 -0.168 7.653 1.757 1.00 44.04 H new ATOM 0 HG11 VAL A 54 2.121 7.900 2.600 1.00 33.10 H new ATOM 0 HG12 VAL A 54 1.037 9.179 3.199 1.00 33.10 H new ATOM 0 HG13 VAL A 54 1.508 7.837 4.269 1.00 33.10 H new ATOM 0 HG21 VAL A 54 1.237 5.634 2.080 1.00 14.02 H new ATOM 0 HG22 VAL A 54 0.542 5.422 3.705 1.00 14.02 H new ATOM 0 HG23 VAL A 54 -0.496 5.277 2.267 1.00 14.02 H new ATOM 942 N PRO A 55 -1.550 9.800 4.678 1.00 72.45 N ATOM 943 CA PRO A 55 -1.967 11.190 4.635 1.00 30.54 C ATOM 944 C PRO A 55 -0.986 11.940 3.733 1.00 5.04 C ATOM 945 O PRO A 55 0.222 11.718 3.802 1.00 34.11 O ATOM 946 CB PRO A 55 -1.965 11.657 6.087 1.00 70.45 C ATOM 947 CG PRO A 55 -0.961 10.744 6.789 1.00 14.23 C ATOM 948 CD PRO A 55 -0.934 9.468 5.952 1.00 30.52 C ATOM 0 HA PRO A 55 -2.959 11.361 4.217 1.00 30.54 H new ATOM 0 HB2 PRO A 55 -1.670 12.703 6.166 1.00 70.45 H new ATOM 0 HB3 PRO A 55 -2.956 11.571 6.532 1.00 70.45 H new ATOM 0 HG2 PRO A 55 0.025 11.205 6.837 1.00 14.23 H new ATOM 0 HG3 PRO A 55 -1.266 10.537 7.815 1.00 14.23 H new ATOM 0 HD2 PRO A 55 0.089 9.118 5.810 1.00 30.52 H new ATOM 0 HD3 PRO A 55 -1.479 8.666 6.449 1.00 30.52 H new ATOM 956 N ASP A 56 -1.490 12.825 2.877 1.00 61.11 N ATOM 957 CA ASP A 56 -0.651 13.588 1.952 1.00 65.24 C ATOM 958 C ASP A 56 0.363 14.514 2.637 1.00 5.43 C ATOM 959 O ASP A 56 1.274 14.998 1.965 1.00 70.55 O ATOM 960 CB ASP A 56 -1.519 14.349 0.936 1.00 3.23 C ATOM 961 CG ASP A 56 -2.008 15.706 1.432 1.00 4.24 C ATOM 962 OD1 ASP A 56 -2.700 15.748 2.478 1.00 43.25 O ATOM 963 OD2 ASP A 56 -1.810 16.718 0.724 1.00 30.33 O ATOM 0 H ASP A 56 -2.486 13.034 2.804 1.00 61.11 H new ATOM 0 HA ASP A 56 -0.045 12.854 1.421 1.00 65.24 H new ATOM 0 HB2 ASP A 56 -0.946 14.493 0.020 1.00 3.23 H new ATOM 0 HB3 ASP A 56 -2.382 13.735 0.679 1.00 3.23 H new ATOM 968 N HIS A 57 0.247 14.758 3.949 1.00 22.34 N ATOM 969 CA HIS A 57 1.176 15.618 4.676 1.00 25.24 C ATOM 970 C HIS A 57 2.500 14.920 5.027 1.00 33.44 C ATOM 971 O HIS A 57 3.444 15.631 5.382 1.00 10.01 O ATOM 972 CB HIS A 57 0.510 16.219 5.930 1.00 43.11 C ATOM 973 CG HIS A 57 0.267 15.284 7.093 1.00 52.14 C ATOM 974 ND1 HIS A 57 -0.947 14.753 7.455 1.00 74.42 N ATOM 975 CD2 HIS A 57 1.175 14.915 8.051 1.00 4.24 C ATOM 976 CE1 HIS A 57 -0.770 14.049 8.585 1.00 13.31 C ATOM 977 NE2 HIS A 57 0.513 14.096 8.977 1.00 12.12 N ATOM 0 H HIS A 57 -0.493 14.364 4.530 1.00 22.34 H new ATOM 0 HA HIS A 57 1.434 16.432 3.999 1.00 25.24 H new ATOM 0 HB2 HIS A 57 1.131 17.043 6.282 1.00 43.11 H new ATOM 0 HB3 HIS A 57 -0.448 16.646 5.633 1.00 43.11 H new ATOM 0 HD2 HIS A 57 2.215 15.204 8.086 1.00 4.24 H new ATOM 0 HE1 HIS A 57 -1.552 13.518 9.107 1.00 13.31 H new ATOM 0 HE2 HIS A 57 0.924 13.630 9.786 1.00 12.12 H new ATOM 985 N VAL A 58 2.588 13.580 4.972 1.00 63.21 N ATOM 986 CA VAL A 58 3.820 12.856 5.305 1.00 42.44 C ATOM 987 C VAL A 58 4.643 12.453 4.079 1.00 22.52 C ATOM 988 O VAL A 58 4.223 12.517 2.920 1.00 1.00 O ATOM 989 CB VAL A 58 3.587 11.666 6.267 1.00 45.43 C ATOM 990 CG1 VAL A 58 2.899 12.109 7.556 1.00 30.51 C ATOM 991 CG2 VAL A 58 2.834 10.480 5.653 1.00 34.22 C ATOM 0 H VAL A 58 1.813 12.976 4.698 1.00 63.21 H new ATOM 0 HA VAL A 58 4.427 13.579 5.850 1.00 42.44 H new ATOM 0 HB VAL A 58 4.590 11.304 6.492 1.00 45.43 H new ATOM 0 HG11 VAL A 58 2.753 11.246 8.205 1.00 30.51 H new ATOM 0 HG12 VAL A 58 3.520 12.845 8.066 1.00 30.51 H new ATOM 0 HG13 VAL A 58 1.932 12.552 7.318 1.00 30.51 H new ATOM 0 HG21 VAL A 58 2.718 9.696 6.401 1.00 34.22 H new ATOM 0 HG22 VAL A 58 1.851 10.808 5.316 1.00 34.22 H new ATOM 0 HG23 VAL A 58 3.397 10.092 4.804 1.00 34.22 H new ATOM 1001 N ASN A 59 5.850 11.986 4.382 1.00 45.15 N ATOM 1002 CA ASN A 59 6.865 11.516 3.460 1.00 34.54 C ATOM 1003 C ASN A 59 7.030 10.006 3.569 1.00 65.41 C ATOM 1004 O ASN A 59 6.669 9.330 4.549 1.00 71.55 O ATOM 1005 CB ASN A 59 8.205 12.224 3.723 1.00 41.02 C ATOM 1006 CG ASN A 59 8.505 12.313 5.216 1.00 54.22 C ATOM 1007 OD1 ASN A 59 9.082 11.290 5.819 1.00 44.01 O flip ATOM 1008 ND2 ASN A 59 8.106 13.259 5.881 1.00 23.42 N flip ATOM 0 H ASN A 59 6.162 11.924 5.351 1.00 45.15 H new ATOM 0 HA ASN A 59 6.543 11.755 2.446 1.00 34.54 H new ATOM 0 HB2 ASN A 59 9.008 11.684 3.221 1.00 41.02 H new ATOM 0 HB3 ASN A 59 8.179 13.226 3.295 1.00 41.02 H new ATOM 0 HD21 ASN A 59 7.659 14.053 5.422 1.00 23.42 H new ATOM 0 HD22 ASN A 59 8.220 13.254 6.895 1.00 23.42 H new ATOM 1015 N MET A 60 7.683 9.478 2.541 1.00 5.22 N ATOM 1016 CA MET A 60 7.937 8.062 2.448 1.00 45.42 C ATOM 1017 C MET A 60 8.759 7.570 3.632 1.00 65.21 C ATOM 1018 O MET A 60 8.431 6.509 4.139 1.00 1.01 O ATOM 1019 CB MET A 60 8.510 7.735 1.065 1.00 2.03 C ATOM 1020 CG MET A 60 7.415 7.794 0.005 1.00 34.13 C ATOM 1021 SD MET A 60 6.415 6.298 -0.073 1.00 10.21 S ATOM 1022 CE MET A 60 7.308 5.504 -1.430 1.00 54.35 C ATOM 0 H MET A 60 8.045 10.022 1.758 1.00 5.22 H new ATOM 0 HA MET A 60 7.006 7.500 2.525 1.00 45.42 H new ATOM 0 HB2 MET A 60 9.303 8.441 0.817 1.00 2.03 H new ATOM 0 HB3 MET A 60 8.960 6.742 1.077 1.00 2.03 H new ATOM 0 HG2 MET A 60 6.766 8.646 0.210 1.00 34.13 H new ATOM 0 HG3 MET A 60 7.872 7.968 -0.969 1.00 34.13 H new ATOM 0 HE1 MET A 60 7.047 4.446 -1.468 1.00 54.35 H new ATOM 0 HE2 MET A 60 7.035 5.979 -2.372 1.00 54.35 H new ATOM 0 HE3 MET A 60 8.381 5.607 -1.269 1.00 54.35 H new ATOM 1032 N SER A 61 9.719 8.335 4.171 1.00 5.14 N ATOM 1033 CA SER A 61 10.499 7.907 5.334 1.00 13.02 C ATOM 1034 C SER A 61 9.561 7.521 6.493 1.00 61.43 C ATOM 1035 O SER A 61 9.803 6.508 7.150 1.00 24.51 O ATOM 1036 CB SER A 61 11.549 8.953 5.740 1.00 30.54 C ATOM 1037 OG SER A 61 12.767 8.686 5.080 1.00 63.33 O ATOM 0 H SER A 61 9.972 9.257 3.816 1.00 5.14 H new ATOM 0 HA SER A 61 11.064 7.016 5.060 1.00 13.02 H new ATOM 0 HB2 SER A 61 11.198 9.953 5.485 1.00 30.54 H new ATOM 0 HB3 SER A 61 11.697 8.933 6.820 1.00 30.54 H new ATOM 0 HG SER A 61 13.434 9.356 5.340 1.00 63.33 H new ATOM 1043 N GLU A 62 8.514 8.312 6.760 1.00 62.33 N ATOM 1044 CA GLU A 62 7.537 8.041 7.809 1.00 44.05 C ATOM 1045 C GLU A 62 6.802 6.760 7.466 1.00 70.21 C ATOM 1046 O GLU A 62 6.703 5.870 8.318 1.00 51.14 O ATOM 1047 CB GLU A 62 6.498 9.165 7.895 1.00 61.53 C ATOM 1048 CG GLU A 62 7.035 10.439 8.526 1.00 12.33 C ATOM 1049 CD GLU A 62 6.941 10.363 10.058 1.00 3.10 C ATOM 1050 OE1 GLU A 62 7.678 9.537 10.648 1.00 23.22 O ATOM 1051 OE2 GLU A 62 6.110 11.085 10.656 1.00 65.12 O ATOM 0 H GLU A 62 8.324 9.170 6.242 1.00 62.33 H new ATOM 0 HA GLU A 62 8.064 7.962 8.760 1.00 44.05 H new ATOM 0 HB2 GLU A 62 6.134 9.391 6.892 1.00 61.53 H new ATOM 0 HB3 GLU A 62 5.643 8.815 8.473 1.00 61.53 H new ATOM 0 HG2 GLU A 62 8.072 10.591 8.227 1.00 12.33 H new ATOM 0 HG3 GLU A 62 6.470 11.298 8.163 1.00 12.33 H new ATOM 1058 N LEU A 63 6.289 6.663 6.227 1.00 2.23 N ATOM 1059 CA LEU A 63 5.579 5.444 5.829 1.00 32.24 C ATOM 1060 C LEU A 63 6.475 4.211 6.041 1.00 5.33 C ATOM 1061 O LEU A 63 6.043 3.246 6.674 1.00 2.42 O ATOM 1062 CB LEU A 63 5.024 5.570 4.400 1.00 61.51 C ATOM 1063 CG LEU A 63 4.536 4.238 3.790 1.00 31.50 C ATOM 1064 CD1 LEU A 63 3.468 3.468 4.584 1.00 64.32 C ATOM 1065 CD2 LEU A 63 3.922 4.589 2.444 1.00 54.35 C ATOM 0 H LEU A 63 6.350 7.386 5.511 1.00 2.23 H new ATOM 0 HA LEU A 63 4.708 5.305 6.470 1.00 32.24 H new ATOM 0 HB2 LEU A 63 4.196 6.279 4.405 1.00 61.51 H new ATOM 0 HB3 LEU A 63 5.798 5.989 3.757 1.00 61.51 H new ATOM 0 HG LEU A 63 5.405 3.580 3.761 1.00 31.50 H new ATOM 0 HD11 LEU A 63 3.209 2.552 4.052 1.00 64.32 H new ATOM 0 HD12 LEU A 63 3.858 3.217 5.570 1.00 64.32 H new ATOM 0 HD13 LEU A 63 2.578 4.088 4.693 1.00 64.32 H new ATOM 0 HD21 LEU A 63 3.557 3.682 1.963 1.00 54.35 H new ATOM 0 HD22 LEU A 63 3.092 5.280 2.592 1.00 54.35 H new ATOM 0 HD23 LEU A 63 4.676 5.057 1.811 1.00 54.35 H new ATOM 1077 N ILE A 64 7.723 4.257 5.566 1.00 73.12 N ATOM 1078 CA ILE A 64 8.723 3.197 5.680 1.00 14.10 C ATOM 1079 C ILE A 64 8.874 2.824 7.159 1.00 2.43 C ATOM 1080 O ILE A 64 8.830 1.646 7.516 1.00 1.42 O ATOM 1081 CB ILE A 64 10.062 3.647 5.012 1.00 31.22 C ATOM 1082 CG1 ILE A 64 10.152 3.221 3.528 1.00 54.01 C ATOM 1083 CG2 ILE A 64 11.328 3.093 5.702 1.00 10.22 C ATOM 1084 CD1 ILE A 64 9.323 4.044 2.549 1.00 74.22 C ATOM 0 H ILE A 64 8.078 5.074 5.069 1.00 73.12 H new ATOM 0 HA ILE A 64 8.407 2.301 5.145 1.00 14.10 H new ATOM 0 HB ILE A 64 10.037 4.732 5.112 1.00 31.22 H new ATOM 0 HG12 ILE A 64 11.196 3.268 3.219 1.00 54.01 H new ATOM 0 HG13 ILE A 64 9.843 2.179 3.450 1.00 54.01 H new ATOM 0 HG21 ILE A 64 12.214 3.451 5.178 1.00 10.22 H new ATOM 0 HG22 ILE A 64 11.356 3.433 6.737 1.00 10.22 H new ATOM 0 HG23 ILE A 64 11.308 2.003 5.678 1.00 10.22 H new ATOM 0 HD11 ILE A 64 9.462 3.657 1.539 1.00 74.22 H new ATOM 0 HD12 ILE A 64 8.269 3.979 2.820 1.00 74.22 H new ATOM 0 HD13 ILE A 64 9.644 5.085 2.586 1.00 74.22 H new ATOM 1096 N LYS A 65 9.058 3.816 8.034 1.00 45.23 N ATOM 1097 CA LYS A 65 9.227 3.609 9.468 1.00 45.11 C ATOM 1098 C LYS A 65 8.016 2.903 10.074 1.00 5.43 C ATOM 1099 O LYS A 65 8.181 1.902 10.772 1.00 12.44 O ATOM 1100 CB LYS A 65 9.564 4.970 10.112 1.00 44.13 C ATOM 1101 CG LYS A 65 9.056 5.239 11.542 1.00 5.24 C ATOM 1102 CD LYS A 65 8.197 6.513 11.500 1.00 61.24 C ATOM 1103 CE LYS A 65 7.571 6.916 12.830 1.00 70.23 C ATOM 1104 NZ LYS A 65 8.549 7.575 13.722 1.00 74.23 N ATOM 0 H LYS A 65 9.094 4.798 7.759 1.00 45.23 H new ATOM 0 HA LYS A 65 10.058 2.933 9.671 1.00 45.11 H new ATOM 0 HB2 LYS A 65 10.649 5.078 10.117 1.00 44.13 H new ATOM 0 HB3 LYS A 65 9.169 5.753 9.464 1.00 44.13 H new ATOM 0 HG2 LYS A 65 8.470 4.394 11.905 1.00 5.24 H new ATOM 0 HG3 LYS A 65 9.893 5.365 12.228 1.00 5.24 H new ATOM 0 HD2 LYS A 65 8.814 7.337 11.143 1.00 61.24 H new ATOM 0 HD3 LYS A 65 7.400 6.371 10.770 1.00 61.24 H new ATOM 0 HE2 LYS A 65 6.734 7.590 12.648 1.00 70.23 H new ATOM 0 HE3 LYS A 65 7.167 6.032 13.324 1.00 70.23 H new ATOM 0 HZ1 LYS A 65 8.084 7.834 14.616 1.00 74.23 H new ATOM 0 HZ2 LYS A 65 9.336 6.923 13.917 1.00 74.23 H new ATOM 0 HZ3 LYS A 65 8.916 8.432 13.262 1.00 74.23 H new ATOM 1118 N ILE A 66 6.802 3.392 9.833 1.00 63.32 N ATOM 1119 CA ILE A 66 5.598 2.780 10.395 1.00 53.11 C ATOM 1120 C ILE A 66 5.446 1.344 9.866 1.00 74.32 C ATOM 1121 O ILE A 66 5.076 0.445 10.628 1.00 32.33 O ATOM 1122 CB ILE A 66 4.416 3.764 10.243 1.00 54.22 C ATOM 1123 CG1 ILE A 66 4.651 4.910 11.267 1.00 53.21 C ATOM 1124 CG2 ILE A 66 3.057 3.097 10.517 1.00 65.23 C ATOM 1125 CD1 ILE A 66 4.105 6.284 10.872 1.00 51.12 C ATOM 0 H ILE A 66 6.625 4.211 9.252 1.00 63.32 H new ATOM 0 HA ILE A 66 5.651 2.622 11.472 1.00 53.11 H new ATOM 0 HB ILE A 66 4.380 4.130 9.217 1.00 54.22 H new ATOM 0 HG12 ILE A 66 4.200 4.621 12.216 1.00 53.21 H new ATOM 0 HG13 ILE A 66 5.723 5.003 11.439 1.00 53.21 H new ATOM 0 HG21 ILE A 66 2.260 3.831 10.397 1.00 65.23 H new ATOM 0 HG22 ILE A 66 2.905 2.278 9.814 1.00 65.23 H new ATOM 0 HG23 ILE A 66 3.041 2.708 11.535 1.00 65.23 H new ATOM 0 HD11 ILE A 66 4.326 7.004 11.660 1.00 51.12 H new ATOM 0 HD12 ILE A 66 4.573 6.608 9.943 1.00 51.12 H new ATOM 0 HD13 ILE A 66 3.026 6.220 10.732 1.00 51.12 H new ATOM 1137 N ILE A 67 5.786 1.087 8.597 1.00 34.20 N ATOM 1138 CA ILE A 67 5.721 -0.260 8.037 1.00 52.23 C ATOM 1139 C ILE A 67 6.728 -1.122 8.814 1.00 42.33 C ATOM 1140 O ILE A 67 6.386 -2.237 9.214 1.00 10.31 O ATOM 1141 CB ILE A 67 5.905 -0.223 6.490 1.00 31.44 C ATOM 1142 CG1 ILE A 67 4.623 -0.635 5.727 1.00 25.43 C ATOM 1143 CG2 ILE A 67 7.085 -1.048 5.951 1.00 34.54 C ATOM 1144 CD1 ILE A 67 3.362 0.127 6.149 1.00 53.31 C ATOM 0 H ILE A 67 6.109 1.798 7.941 1.00 34.20 H new ATOM 0 HA ILE A 67 4.741 -0.721 8.161 1.00 52.23 H new ATOM 0 HB ILE A 67 6.132 0.826 6.301 1.00 31.44 H new ATOM 0 HG12 ILE A 67 4.785 -0.482 4.660 1.00 25.43 H new ATOM 0 HG13 ILE A 67 4.454 -1.702 5.874 1.00 25.43 H new ATOM 0 HG21 ILE A 67 7.127 -0.957 4.866 1.00 34.54 H new ATOM 0 HG22 ILE A 67 8.015 -0.678 6.383 1.00 34.54 H new ATOM 0 HG23 ILE A 67 6.951 -2.095 6.222 1.00 34.54 H new ATOM 0 HD11 ILE A 67 2.512 -0.224 5.564 1.00 53.31 H new ATOM 0 HD12 ILE A 67 3.170 -0.045 7.208 1.00 53.31 H new ATOM 0 HD13 ILE A 67 3.506 1.193 5.975 1.00 53.31 H new ATOM 1156 N ARG A 68 7.939 -0.615 9.106 1.00 22.13 N ATOM 1157 CA ARG A 68 8.921 -1.390 9.848 1.00 23.13 C ATOM 1158 C ARG A 68 8.388 -1.719 11.233 1.00 53.05 C ATOM 1159 O ARG A 68 8.512 -2.866 11.653 1.00 12.41 O ATOM 1160 CB ARG A 68 10.250 -0.634 9.919 1.00 70.25 C ATOM 1161 CG ARG A 68 10.941 -0.648 8.557 1.00 33.51 C ATOM 1162 CD ARG A 68 12.114 0.332 8.494 1.00 43.35 C ATOM 1163 NE ARG A 68 13.233 -0.301 7.798 1.00 73.55 N ATOM 1164 CZ ARG A 68 14.385 0.262 7.424 1.00 51.42 C ATOM 1165 NH1 ARG A 68 14.535 1.580 7.385 1.00 44.14 N ATOM 1166 NH2 ARG A 68 15.384 -0.536 7.089 1.00 22.41 N ATOM 0 H ARG A 68 8.249 0.319 8.838 1.00 22.13 H new ATOM 0 HA ARG A 68 9.104 -2.331 9.329 1.00 23.13 H new ATOM 0 HB2 ARG A 68 10.075 0.394 10.235 1.00 70.25 H new ATOM 0 HB3 ARG A 68 10.897 -1.092 10.667 1.00 70.25 H new ATOM 0 HG2 ARG A 68 11.299 -1.655 8.344 1.00 33.51 H new ATOM 0 HG3 ARG A 68 10.217 -0.396 7.782 1.00 33.51 H new ATOM 0 HD2 ARG A 68 11.815 1.242 7.974 1.00 43.35 H new ATOM 0 HD3 ARG A 68 12.414 0.623 9.500 1.00 43.35 H new ATOM 0 HE ARG A 68 13.121 -1.289 7.571 1.00 73.55 H new ATOM 0 HH11 ARG A 68 13.759 2.189 7.645 1.00 44.14 H new ATOM 0 HH12 ARG A 68 15.426 1.984 7.096 1.00 44.14 H new ATOM 0 HH21 ARG A 68 15.261 -1.548 7.121 1.00 22.41 H new ATOM 0 HH22 ARG A 68 16.278 -0.140 6.798 1.00 22.41 H new ATOM 1180 N ARG A 69 7.702 -0.776 11.894 1.00 50.03 N ATOM 1181 CA ARG A 69 7.147 -0.995 13.223 1.00 61.13 C ATOM 1182 C ARG A 69 6.170 -2.169 13.238 1.00 22.24 C ATOM 1183 O ARG A 69 6.435 -3.158 13.929 1.00 72.45 O ATOM 1184 CB ARG A 69 6.407 0.279 13.671 1.00 74.54 C ATOM 1185 CG ARG A 69 6.008 0.249 15.159 1.00 71.21 C ATOM 1186 CD ARG A 69 7.108 0.732 16.103 1.00 61.33 C ATOM 1187 NE ARG A 69 7.357 2.169 15.934 1.00 25.13 N ATOM 1188 CZ ARG A 69 8.518 2.815 16.051 1.00 3.03 C ATOM 1189 NH1 ARG A 69 9.660 2.162 16.248 1.00 12.11 N ATOM 1190 NH2 ARG A 69 8.496 4.137 15.958 1.00 70.44 N ATOM 0 H ARG A 69 7.521 0.155 11.518 1.00 50.03 H new ATOM 0 HA ARG A 69 7.968 -1.227 13.902 1.00 61.13 H new ATOM 0 HB2 ARG A 69 7.042 1.146 13.488 1.00 74.54 H new ATOM 0 HB3 ARG A 69 5.512 0.406 13.062 1.00 74.54 H new ATOM 0 HG2 ARG A 69 5.123 0.869 15.301 1.00 71.21 H new ATOM 0 HG3 ARG A 69 5.731 -0.770 15.431 1.00 71.21 H new ATOM 0 HD2 ARG A 69 6.821 0.528 17.135 1.00 61.33 H new ATOM 0 HD3 ARG A 69 8.026 0.176 15.912 1.00 61.33 H new ATOM 0 HE ARG A 69 6.546 2.741 15.699 1.00 25.13 H new ATOM 0 HH11 ARG A 69 9.661 1.144 16.313 1.00 12.11 H new ATOM 0 HH12 ARG A 69 10.535 2.679 16.334 1.00 12.11 H new ATOM 0 HH21 ARG A 69 7.613 4.623 15.803 1.00 70.44 H new ATOM 0 HH22 ARG A 69 9.362 4.669 16.042 1.00 70.44 H new ATOM 1204 N ARG A 70 5.088 -2.121 12.452 1.00 11.43 N ATOM 1205 CA ARG A 70 4.102 -3.206 12.463 1.00 63.11 C ATOM 1206 C ARG A 70 4.660 -4.543 11.985 1.00 1.22 C ATOM 1207 O ARG A 70 4.227 -5.573 12.495 1.00 44.24 O ATOM 1208 CB ARG A 70 2.798 -2.827 11.742 1.00 61.44 C ATOM 1209 CG ARG A 70 3.009 -2.253 10.335 1.00 42.23 C ATOM 1210 CD ARG A 70 1.925 -2.688 9.330 1.00 71.41 C ATOM 1211 NE ARG A 70 1.807 -4.159 9.213 1.00 43.03 N ATOM 1212 CZ ARG A 70 0.808 -4.917 9.693 1.00 15.34 C ATOM 1213 NH1 ARG A 70 -0.322 -4.384 10.125 1.00 44.31 N ATOM 1214 NH2 ARG A 70 0.927 -6.235 9.757 1.00 3.10 N ATOM 0 H ARG A 70 4.875 -1.356 11.811 1.00 11.43 H new ATOM 0 HA ARG A 70 3.849 -3.352 13.513 1.00 63.11 H new ATOM 0 HB2 ARG A 70 2.163 -3.710 11.672 1.00 61.44 H new ATOM 0 HB3 ARG A 70 2.260 -2.095 12.345 1.00 61.44 H new ATOM 0 HG2 ARG A 70 3.025 -1.165 10.393 1.00 42.23 H new ATOM 0 HG3 ARG A 70 3.985 -2.567 9.965 1.00 42.23 H new ATOM 0 HD2 ARG A 70 0.964 -2.275 9.637 1.00 71.41 H new ATOM 0 HD3 ARG A 70 2.154 -2.268 8.351 1.00 71.41 H new ATOM 0 HE ARG A 70 2.557 -4.644 8.720 1.00 43.03 H new ATOM 0 HH11 ARG A 70 -0.452 -3.373 10.099 1.00 44.31 H new ATOM 0 HH12 ARG A 70 -1.064 -4.984 10.485 1.00 44.31 H new ATOM 0 HH21 ARG A 70 1.785 -6.686 9.439 1.00 3.10 H new ATOM 0 HH22 ARG A 70 0.160 -6.799 10.124 1.00 3.10 H new ATOM 1228 N LEU A 71 5.576 -4.575 11.013 1.00 42.01 N ATOM 1229 CA LEU A 71 6.151 -5.846 10.539 1.00 74.23 C ATOM 1230 C LEU A 71 7.353 -6.287 11.388 1.00 34.50 C ATOM 1231 O LEU A 71 7.949 -7.326 11.101 1.00 43.34 O ATOM 1232 CB LEU A 71 6.501 -5.787 9.040 1.00 71.51 C ATOM 1233 CG LEU A 71 5.239 -5.933 8.163 1.00 14.44 C ATOM 1234 CD1 LEU A 71 4.792 -4.581 7.611 1.00 41.32 C ATOM 1235 CD2 LEU A 71 5.447 -6.925 7.020 1.00 15.32 C ATOM 0 H LEU A 71 5.935 -3.746 10.540 1.00 42.01 H new ATOM 0 HA LEU A 71 5.382 -6.608 10.662 1.00 74.23 H new ATOM 0 HB2 LEU A 71 6.994 -4.841 8.817 1.00 71.51 H new ATOM 0 HB3 LEU A 71 7.208 -6.580 8.798 1.00 71.51 H new ATOM 0 HG LEU A 71 4.453 -6.326 8.807 1.00 14.44 H new ATOM 0 HD11 LEU A 71 3.901 -4.715 6.997 1.00 41.32 H new ATOM 0 HD12 LEU A 71 4.565 -3.908 8.438 1.00 41.32 H new ATOM 0 HD13 LEU A 71 5.590 -4.154 7.004 1.00 41.32 H new ATOM 0 HD21 LEU A 71 4.534 -6.996 6.429 1.00 15.32 H new ATOM 0 HD22 LEU A 71 6.264 -6.582 6.385 1.00 15.32 H new ATOM 0 HD23 LEU A 71 5.692 -7.905 7.429 1.00 15.32 H new ATOM 1247 N GLN A 72 7.699 -5.540 12.446 1.00 63.31 N ATOM 1248 CA GLN A 72 8.826 -5.815 13.339 1.00 75.25 C ATOM 1249 C GLN A 72 10.117 -6.030 12.544 1.00 44.21 C ATOM 1250 O GLN A 72 10.963 -6.834 12.939 1.00 51.05 O ATOM 1251 CB GLN A 72 8.487 -6.973 14.303 1.00 34.22 C ATOM 1252 CG GLN A 72 7.387 -6.631 15.318 1.00 61.41 C ATOM 1253 CD GLN A 72 7.890 -5.636 16.358 1.00 43.42 C ATOM 1254 OE1 GLN A 72 8.404 -6.003 17.405 1.00 31.32 O ATOM 1255 NE2 GLN A 72 7.808 -4.338 16.099 1.00 24.20 N ATOM 0 H GLN A 72 7.183 -4.701 12.710 1.00 63.31 H new ATOM 0 HA GLN A 72 9.008 -4.942 13.966 1.00 75.25 H new ATOM 0 HB2 GLN A 72 8.174 -7.839 13.720 1.00 34.22 H new ATOM 0 HB3 GLN A 72 9.390 -7.261 14.842 1.00 34.22 H new ATOM 0 HG2 GLN A 72 6.525 -6.213 14.798 1.00 61.41 H new ATOM 0 HG3 GLN A 72 7.050 -7.541 15.814 1.00 61.41 H new ATOM 0 HE21 GLN A 72 7.382 -4.017 15.230 1.00 24.20 H new ATOM 0 HE22 GLN A 72 8.171 -3.660 16.769 1.00 24.20 H new ATOM 1264 N LEU A 73 10.268 -5.312 11.422 1.00 32.20 N ATOM 1265 CA LEU A 73 11.433 -5.416 10.557 1.00 52.12 C ATOM 1266 C LEU A 73 12.685 -5.195 11.393 1.00 21.13 C ATOM 1267 O LEU A 73 12.737 -4.255 12.189 1.00 11.32 O ATOM 1268 CB LEU A 73 11.355 -4.427 9.387 1.00 44.42 C ATOM 1269 CG LEU A 73 11.660 -5.052 8.016 1.00 14.42 C ATOM 1270 CD1 LEU A 73 12.968 -5.847 7.966 1.00 61.34 C ATOM 1271 CD2 LEU A 73 10.486 -5.919 7.543 1.00 2.00 C ATOM 0 H LEU A 73 9.575 -4.640 11.094 1.00 32.20 H new ATOM 0 HA LEU A 73 11.466 -6.412 10.116 1.00 52.12 H new ATOM 0 HB2 LEU A 73 10.357 -3.989 9.361 1.00 44.42 H new ATOM 0 HB3 LEU A 73 12.056 -3.612 9.567 1.00 44.42 H new ATOM 0 HG LEU A 73 11.796 -4.213 7.334 1.00 14.42 H new ATOM 0 HD11 LEU A 73 13.108 -6.254 6.965 1.00 61.34 H new ATOM 0 HD12 LEU A 73 13.803 -5.190 8.211 1.00 61.34 H new ATOM 0 HD13 LEU A 73 12.925 -6.663 8.687 1.00 61.34 H new ATOM 0 HD21 LEU A 73 10.722 -6.352 6.571 1.00 2.00 H new ATOM 0 HD22 LEU A 73 10.310 -6.718 8.263 1.00 2.00 H new ATOM 0 HD23 LEU A 73 9.590 -5.304 7.458 1.00 2.00 H new ATOM 1283 N ASN A 74 13.672 -6.056 11.178 1.00 22.23 N ATOM 1284 CA ASN A 74 14.940 -6.073 11.875 1.00 33.40 C ATOM 1285 C ASN A 74 15.683 -4.748 11.818 1.00 63.41 C ATOM 1286 O ASN A 74 15.451 -3.919 10.935 1.00 52.44 O ATOM 1287 CB ASN A 74 15.830 -7.176 11.280 1.00 32.51 C ATOM 1288 CG ASN A 74 16.573 -7.939 12.356 1.00 60.44 C ATOM 1289 OD1 ASN A 74 16.999 -7.365 13.353 1.00 54.12 O ATOM 1290 ND2 ASN A 74 16.778 -9.223 12.136 1.00 55.12 N ATOM 0 H ASN A 74 13.601 -6.794 10.478 1.00 22.23 H new ATOM 0 HA ASN A 74 14.718 -6.265 12.925 1.00 33.40 H new ATOM 0 HB2 ASN A 74 15.216 -7.867 10.703 1.00 32.51 H new ATOM 0 HB3 ASN A 74 16.546 -6.732 10.589 1.00 32.51 H new ATOM 0 HD21 ASN A 74 17.308 -9.777 12.808 1.00 55.12 H new ATOM 0 HD22 ASN A 74 16.406 -9.662 11.294 1.00 55.12 H new ATOM 1297 N ALA A 75 16.624 -4.601 12.742 1.00 4.04 N ATOM 1298 CA ALA A 75 17.489 -3.447 12.878 1.00 42.31 C ATOM 1299 C ALA A 75 18.778 -3.704 12.094 1.00 10.10 C ATOM 1300 O ALA A 75 19.414 -2.750 11.635 1.00 22.13 O ATOM 1301 CB ALA A 75 17.785 -3.200 14.361 1.00 44.31 C ATOM 0 H ALA A 75 16.809 -5.316 13.445 1.00 4.04 H new ATOM 0 HA ALA A 75 17.004 -2.557 12.477 1.00 42.31 H new ATOM 0 HB1 ALA A 75 18.436 -2.332 14.462 1.00 44.31 H new ATOM 0 HB2 ALA A 75 16.851 -3.018 14.893 1.00 44.31 H new ATOM 0 HB3 ALA A 75 18.279 -4.075 14.784 1.00 44.31 H new ATOM 1307 N ASN A 76 19.170 -4.978 11.930 1.00 1.34 N ATOM 1308 CA ASN A 76 20.387 -5.309 11.185 1.00 23.51 C ATOM 1309 C ASN A 76 20.110 -5.527 9.705 1.00 71.22 C ATOM 1310 O ASN A 76 21.064 -5.516 8.928 1.00 42.21 O ATOM 1311 CB ASN A 76 21.096 -6.562 11.714 1.00 2.13 C ATOM 1312 CG ASN A 76 20.328 -7.843 11.439 1.00 60.13 C ATOM 1313 OD1 ASN A 76 19.609 -8.314 12.429 1.00 73.25 O flip ATOM 1314 ND2 ASN A 76 20.319 -8.379 10.335 1.00 2.20 N flip ATOM 0 H ASN A 76 18.666 -5.784 12.300 1.00 1.34 H new ATOM 0 HA ASN A 76 21.036 -4.444 11.325 1.00 23.51 H new ATOM 0 HB2 ASN A 76 22.084 -6.633 11.258 1.00 2.13 H new ATOM 0 HB3 ASN A 76 21.247 -6.460 12.789 1.00 2.13 H new ATOM 0 HD21 ASN A 76 20.886 -7.997 9.578 1.00 2.20 H new ATOM 0 HD22 ASN A 76 19.745 -9.207 10.175 1.00 2.20 H new ATOM 1321 N GLN A 77 18.851 -5.771 9.327 1.00 34.33 N ATOM 1322 CA GLN A 77 18.475 -6.003 7.939 1.00 24.31 C ATOM 1323 C GLN A 77 17.783 -4.742 7.431 1.00 21.33 C ATOM 1324 O GLN A 77 16.988 -4.139 8.154 1.00 44.04 O ATOM 1325 CB GLN A 77 17.664 -7.314 7.808 1.00 55.15 C ATOM 1326 CG GLN A 77 16.146 -7.161 7.613 1.00 71.55 C ATOM 1327 CD GLN A 77 15.478 -8.460 7.170 1.00 14.04 C ATOM 1328 OE1 GLN A 77 14.632 -9.012 7.867 1.00 23.42 O ATOM 1329 NE2 GLN A 77 15.805 -8.940 5.983 1.00 34.54 N ATOM 0 H GLN A 77 18.068 -5.812 9.979 1.00 34.33 H new ATOM 0 HA GLN A 77 19.339 -6.169 7.296 1.00 24.31 H new ATOM 0 HB2 GLN A 77 18.062 -7.879 6.965 1.00 55.15 H new ATOM 0 HB3 GLN A 77 17.835 -7.913 8.703 1.00 55.15 H new ATOM 0 HG2 GLN A 77 15.695 -6.825 8.547 1.00 71.55 H new ATOM 0 HG3 GLN A 77 15.955 -6.387 6.870 1.00 71.55 H new ATOM 0 HE21 GLN A 77 16.511 -8.467 5.418 1.00 34.54 H new ATOM 0 HE22 GLN A 77 15.352 -9.783 5.631 1.00 34.54 H new ATOM 1338 N ALA A 78 18.037 -4.367 6.182 1.00 54.22 N ATOM 1339 CA ALA A 78 17.475 -3.181 5.551 1.00 73.44 C ATOM 1340 C ALA A 78 16.604 -3.589 4.363 1.00 52.15 C ATOM 1341 O ALA A 78 16.584 -4.761 3.971 1.00 24.52 O ATOM 1342 CB ALA A 78 18.625 -2.246 5.159 1.00 35.43 C ATOM 0 H ALA A 78 18.656 -4.894 5.566 1.00 54.22 H new ATOM 0 HA ALA A 78 16.825 -2.640 6.239 1.00 73.44 H new ATOM 0 HB1 ALA A 78 18.221 -1.352 4.684 1.00 35.43 H new ATOM 0 HB2 ALA A 78 19.184 -1.963 6.051 1.00 35.43 H new ATOM 0 HB3 ALA A 78 19.289 -2.758 4.462 1.00 35.43 H new ATOM 1348 N PHE A 79 15.834 -2.656 3.805 1.00 44.23 N ATOM 1349 CA PHE A 79 14.964 -2.921 2.666 1.00 74.22 C ATOM 1350 C PHE A 79 14.839 -1.680 1.786 1.00 55.02 C ATOM 1351 O PHE A 79 15.286 -0.601 2.183 1.00 13.31 O ATOM 1352 CB PHE A 79 13.600 -3.426 3.171 1.00 15.32 C ATOM 1353 CG PHE A 79 12.522 -2.394 3.436 1.00 42.41 C ATOM 1354 CD1 PHE A 79 12.516 -1.673 4.642 1.00 31.50 C ATOM 1355 CD2 PHE A 79 11.474 -2.217 2.512 1.00 62.15 C ATOM 1356 CE1 PHE A 79 11.451 -0.802 4.927 1.00 70.43 C ATOM 1357 CE2 PHE A 79 10.411 -1.341 2.799 1.00 24.54 C ATOM 1358 CZ PHE A 79 10.393 -0.646 4.019 1.00 73.53 C ATOM 0 H PHE A 79 15.798 -1.691 4.134 1.00 44.23 H new ATOM 0 HA PHE A 79 15.398 -3.702 2.042 1.00 74.22 H new ATOM 0 HB2 PHE A 79 13.213 -4.135 2.439 1.00 15.32 H new ATOM 0 HB3 PHE A 79 13.768 -3.980 4.094 1.00 15.32 H new ATOM 0 HD1 PHE A 79 13.326 -1.788 5.347 1.00 31.50 H new ATOM 0 HD2 PHE A 79 11.486 -2.757 1.577 1.00 62.15 H new ATOM 0 HE1 PHE A 79 11.447 -0.247 5.854 1.00 70.43 H new ATOM 0 HE2 PHE A 79 9.613 -1.204 2.084 1.00 24.54 H new ATOM 0 HZ PHE A 79 9.567 0.007 4.258 1.00 73.53 H new ATOM 1368 N PHE A 80 14.224 -1.836 0.615 1.00 35.30 N ATOM 1369 CA PHE A 80 13.979 -0.787 -0.358 1.00 13.12 C ATOM 1370 C PHE A 80 12.520 -0.877 -0.797 1.00 55.43 C ATOM 1371 O PHE A 80 11.890 -1.937 -0.744 1.00 32.52 O ATOM 1372 CB PHE A 80 14.904 -0.919 -1.575 1.00 42.05 C ATOM 1373 CG PHE A 80 16.377 -0.679 -1.297 1.00 20.22 C ATOM 1374 CD1 PHE A 80 16.906 0.623 -1.381 1.00 2.22 C ATOM 1375 CD2 PHE A 80 17.231 -1.756 -0.995 1.00 75.53 C ATOM 1376 CE1 PHE A 80 18.278 0.846 -1.167 1.00 23.31 C ATOM 1377 CE2 PHE A 80 18.607 -1.540 -0.812 1.00 44.02 C ATOM 1378 CZ PHE A 80 19.129 -0.237 -0.885 1.00 62.12 C ATOM 0 H PHE A 80 13.868 -2.742 0.310 1.00 35.30 H new ATOM 0 HA PHE A 80 14.185 0.181 0.100 1.00 13.12 H new ATOM 0 HB2 PHE A 80 14.788 -1.919 -1.993 1.00 42.05 H new ATOM 0 HB3 PHE A 80 14.575 -0.214 -2.339 1.00 42.05 H new ATOM 0 HD1 PHE A 80 16.256 1.454 -1.611 1.00 2.22 H new ATOM 0 HD2 PHE A 80 16.827 -2.753 -0.903 1.00 75.53 H new ATOM 0 HE1 PHE A 80 18.677 1.848 -1.219 1.00 23.31 H new ATOM 0 HE2 PHE A 80 19.263 -2.375 -0.615 1.00 44.02 H new ATOM 0 HZ PHE A 80 20.184 -0.068 -0.725 1.00 62.12 H new ATOM 1388 N LEU A 81 11.984 0.254 -1.241 1.00 71.45 N ATOM 1389 CA LEU A 81 10.624 0.414 -1.724 1.00 73.31 C ATOM 1390 C LEU A 81 10.770 0.862 -3.170 1.00 41.11 C ATOM 1391 O LEU A 81 11.510 1.812 -3.444 1.00 62.54 O ATOM 1392 CB LEU A 81 9.873 1.409 -0.825 1.00 24.24 C ATOM 1393 CG LEU A 81 8.354 1.432 -1.080 1.00 24.20 C ATOM 1394 CD1 LEU A 81 7.642 2.119 0.088 1.00 1.43 C ATOM 1395 CD2 LEU A 81 7.974 2.146 -2.382 1.00 13.11 C ATOM 0 H LEU A 81 12.515 1.125 -1.274 1.00 71.45 H new ATOM 0 HA LEU A 81 10.028 -0.498 -1.688 1.00 73.31 H new ATOM 0 HB2 LEU A 81 10.056 1.154 0.219 1.00 24.24 H new ATOM 0 HB3 LEU A 81 10.277 2.409 -0.985 1.00 24.24 H new ATOM 0 HG LEU A 81 8.039 0.393 -1.171 1.00 24.20 H new ATOM 0 HD11 LEU A 81 6.568 2.132 -0.098 1.00 1.43 H new ATOM 0 HD12 LEU A 81 7.844 1.573 1.009 1.00 1.43 H new ATOM 0 HD13 LEU A 81 8.006 3.142 0.185 1.00 1.43 H new ATOM 0 HD21 LEU A 81 6.891 2.128 -2.504 1.00 13.11 H new ATOM 0 HD22 LEU A 81 8.318 3.180 -2.344 1.00 13.11 H new ATOM 0 HD23 LEU A 81 8.443 1.639 -3.225 1.00 13.11 H new ATOM 1407 N LEU A 82 10.145 0.136 -4.090 1.00 72.45 N ATOM 1408 CA LEU A 82 10.182 0.405 -5.517 1.00 53.43 C ATOM 1409 C LEU A 82 8.753 0.775 -5.931 1.00 51.01 C ATOM 1410 O LEU A 82 7.791 0.147 -5.490 1.00 74.32 O ATOM 1411 CB LEU A 82 10.775 -0.811 -6.258 1.00 63.21 C ATOM 1412 CG LEU A 82 12.232 -1.161 -5.849 1.00 60.41 C ATOM 1413 CD1 LEU A 82 12.339 -2.289 -4.815 1.00 1.00 C ATOM 1414 CD2 LEU A 82 13.047 -1.581 -7.080 1.00 14.13 C ATOM 0 H LEU A 82 9.582 -0.681 -3.853 1.00 72.45 H new ATOM 0 HA LEU A 82 10.834 1.238 -5.781 1.00 53.43 H new ATOM 0 HB2 LEU A 82 10.140 -1.678 -6.075 1.00 63.21 H new ATOM 0 HB3 LEU A 82 10.748 -0.617 -7.330 1.00 63.21 H new ATOM 0 HG LEU A 82 12.624 -0.251 -5.395 1.00 60.41 H new ATOM 0 HD11 LEU A 82 13.388 -2.472 -4.583 1.00 1.00 H new ATOM 0 HD12 LEU A 82 11.812 -2.000 -3.906 1.00 1.00 H new ATOM 0 HD13 LEU A 82 11.893 -3.197 -5.220 1.00 1.00 H new ATOM 0 HD21 LEU A 82 14.066 -1.823 -6.777 1.00 14.13 H new ATOM 0 HD22 LEU A 82 12.587 -2.456 -7.539 1.00 14.13 H new ATOM 0 HD23 LEU A 82 13.067 -0.762 -7.799 1.00 14.13 H new ATOM 1426 N VAL A 83 8.584 1.797 -6.764 1.00 41.24 N ATOM 1427 CA VAL A 83 7.276 2.269 -7.212 1.00 2.33 C ATOM 1428 C VAL A 83 6.987 1.580 -8.531 1.00 21.23 C ATOM 1429 O VAL A 83 7.805 1.656 -9.441 1.00 43.02 O ATOM 1430 CB VAL A 83 7.299 3.802 -7.327 1.00 3.43 C ATOM 1431 CG1 VAL A 83 5.910 4.315 -7.725 1.00 54.31 C ATOM 1432 CG2 VAL A 83 7.662 4.445 -5.972 1.00 3.40 C ATOM 0 H VAL A 83 9.362 2.329 -7.153 1.00 41.24 H new ATOM 0 HA VAL A 83 6.481 2.027 -6.507 1.00 2.33 H new ATOM 0 HB VAL A 83 8.042 4.068 -8.079 1.00 3.43 H new ATOM 0 HG11 VAL A 83 5.933 5.402 -7.805 1.00 54.31 H new ATOM 0 HG12 VAL A 83 5.625 3.886 -8.686 1.00 54.31 H new ATOM 0 HG13 VAL A 83 5.183 4.022 -6.967 1.00 54.31 H new ATOM 0 HG21 VAL A 83 7.673 5.530 -6.075 1.00 3.40 H new ATOM 0 HG22 VAL A 83 6.923 4.159 -5.224 1.00 3.40 H new ATOM 0 HG23 VAL A 83 8.647 4.101 -5.658 1.00 3.40 H new ATOM 1442 N ASN A 84 5.882 0.832 -8.621 1.00 2.33 N ATOM 1443 CA ASN A 84 5.478 0.063 -9.808 1.00 0.12 C ATOM 1444 C ASN A 84 6.497 -1.043 -10.164 1.00 75.21 C ATOM 1445 O ASN A 84 6.241 -1.858 -11.054 1.00 3.10 O ATOM 1446 CB ASN A 84 5.144 0.985 -11.000 1.00 3.31 C ATOM 1447 CG ASN A 84 3.788 1.657 -10.831 1.00 42.44 C ATOM 1448 OD1 ASN A 84 2.797 0.955 -10.667 1.00 51.43 O ATOM 1449 ND2 ASN A 84 3.705 2.978 -10.863 1.00 12.22 N ATOM 0 H ASN A 84 5.223 0.741 -7.848 1.00 2.33 H new ATOM 0 HA ASN A 84 4.554 -0.458 -9.556 1.00 0.12 H new ATOM 0 HB2 ASN A 84 5.918 1.747 -11.099 1.00 3.31 H new ATOM 0 HB3 ASN A 84 5.149 0.404 -11.922 1.00 3.31 H new ATOM 0 HD21 ASN A 84 2.800 3.435 -10.750 1.00 12.22 H new ATOM 0 HD22 ASN A 84 4.546 3.539 -11.001 1.00 12.22 H new ATOM 1456 N GLY A 85 7.597 -1.152 -9.410 1.00 41.21 N ATOM 1457 CA GLY A 85 8.713 -2.079 -9.543 1.00 61.25 C ATOM 1458 C GLY A 85 10.015 -1.330 -9.855 1.00 3.40 C ATOM 1459 O GLY A 85 11.046 -1.967 -10.062 1.00 34.40 O ATOM 0 H GLY A 85 7.736 -0.529 -8.614 1.00 41.21 H new ATOM 0 HA2 GLY A 85 8.829 -2.649 -8.621 1.00 61.25 H new ATOM 0 HA3 GLY A 85 8.502 -2.796 -10.337 1.00 61.25 H new ATOM 1463 N HIS A 86 10.007 0.010 -9.812 1.00 63.11 N ATOM 1464 CA HIS A 86 11.140 0.864 -10.126 1.00 35.33 C ATOM 1465 C HIS A 86 11.364 1.943 -9.051 1.00 4.20 C ATOM 1466 O HIS A 86 10.490 2.768 -8.784 1.00 3.32 O ATOM 1467 CB HIS A 86 10.853 1.485 -11.511 1.00 23.53 C ATOM 1468 CG HIS A 86 10.354 0.507 -12.553 1.00 1.13 C ATOM 1469 ND1 HIS A 86 11.138 -0.339 -13.313 1.00 1.33 N ATOM 1470 CD2 HIS A 86 9.039 0.256 -12.859 1.00 54.05 C ATOM 1471 CE1 HIS A 86 10.313 -1.093 -14.056 1.00 3.13 C ATOM 1472 NE2 HIS A 86 9.030 -0.762 -13.823 1.00 33.40 N ATOM 0 H HIS A 86 9.176 0.539 -9.547 1.00 63.11 H new ATOM 0 HA HIS A 86 12.063 0.284 -10.146 1.00 35.33 H new ATOM 0 HB2 HIS A 86 10.114 2.277 -11.392 1.00 23.53 H new ATOM 0 HB3 HIS A 86 11.765 1.953 -11.880 1.00 23.53 H new ATOM 0 HD2 HIS A 86 8.176 0.749 -12.437 1.00 54.05 H new ATOM 0 HE1 HIS A 86 10.635 -1.859 -14.746 1.00 3.13 H new ATOM 0 HE2 HIS A 86 8.207 -1.173 -14.264 1.00 33.40 H new ATOM 1480 N SER A 87 12.522 1.942 -8.383 1.00 53.32 N ATOM 1481 CA SER A 87 12.888 2.925 -7.362 1.00 51.15 C ATOM 1482 C SER A 87 13.503 4.130 -8.093 1.00 31.14 C ATOM 1483 O SER A 87 14.717 4.229 -8.255 1.00 72.44 O ATOM 1484 CB SER A 87 13.881 2.282 -6.374 1.00 52.02 C ATOM 1485 OG SER A 87 14.641 1.254 -6.990 1.00 43.42 O ATOM 0 H SER A 87 13.246 1.241 -8.542 1.00 53.32 H new ATOM 0 HA SER A 87 12.025 3.256 -6.784 1.00 51.15 H new ATOM 0 HB2 SER A 87 14.552 3.047 -5.983 1.00 52.02 H new ATOM 0 HB3 SER A 87 13.335 1.872 -5.524 1.00 52.02 H new ATOM 0 HG SER A 87 15.261 0.869 -6.336 1.00 43.42 H new ATOM 1491 N MET A 88 12.654 5.041 -8.567 1.00 52.14 N ATOM 1492 CA MET A 88 13.041 6.248 -9.296 1.00 64.41 C ATOM 1493 C MET A 88 13.177 7.444 -8.373 1.00 74.43 C ATOM 1494 O MET A 88 14.008 8.325 -8.589 1.00 10.42 O ATOM 1495 CB MET A 88 12.008 6.607 -10.384 1.00 65.55 C ATOM 1496 CG MET A 88 11.523 5.507 -11.335 1.00 21.40 C ATOM 1497 SD MET A 88 12.738 4.768 -12.457 1.00 72.11 S ATOM 1498 CE MET A 88 13.598 3.686 -11.301 1.00 74.12 C ATOM 0 H MET A 88 11.644 4.956 -8.450 1.00 52.14 H new ATOM 0 HA MET A 88 14.004 6.025 -9.754 1.00 64.41 H new ATOM 0 HB2 MET A 88 11.132 7.020 -9.884 1.00 65.55 H new ATOM 0 HB3 MET A 88 12.434 7.405 -10.992 1.00 65.55 H new ATOM 0 HG2 MET A 88 11.094 4.707 -10.732 1.00 21.40 H new ATOM 0 HG3 MET A 88 10.715 5.919 -11.940 1.00 21.40 H new ATOM 0 HE1 MET A 88 14.035 2.848 -11.844 1.00 74.12 H new ATOM 0 HE2 MET A 88 14.388 4.245 -10.798 1.00 74.12 H new ATOM 0 HE3 MET A 88 12.892 3.310 -10.561 1.00 74.12 H new ATOM 1508 N VAL A 89 12.355 7.434 -7.343 1.00 22.41 N ATOM 1509 CA VAL A 89 12.228 8.448 -6.311 1.00 45.33 C ATOM 1510 C VAL A 89 12.974 8.049 -5.031 1.00 41.23 C ATOM 1511 O VAL A 89 13.528 6.947 -4.949 1.00 12.13 O ATOM 1512 CB VAL A 89 10.720 8.738 -6.150 1.00 74.42 C ATOM 1513 CG1 VAL A 89 10.006 7.749 -5.215 1.00 2.01 C ATOM 1514 CG2 VAL A 89 10.488 10.188 -5.716 1.00 71.22 C ATOM 0 H VAL A 89 11.709 6.659 -7.193 1.00 22.41 H new ATOM 0 HA VAL A 89 12.717 9.382 -6.587 1.00 45.33 H new ATOM 0 HB VAL A 89 10.270 8.594 -7.132 1.00 74.42 H new ATOM 0 HG11 VAL A 89 8.950 8.010 -5.147 1.00 2.01 H new ATOM 0 HG12 VAL A 89 10.105 6.738 -5.611 1.00 2.01 H new ATOM 0 HG13 VAL A 89 10.456 7.796 -4.223 1.00 2.01 H new ATOM 0 HG21 VAL A 89 9.418 10.369 -5.609 1.00 71.22 H new ATOM 0 HG22 VAL A 89 10.983 10.366 -4.762 1.00 71.22 H new ATOM 0 HG23 VAL A 89 10.897 10.863 -6.468 1.00 71.22 H new ATOM 1524 N SER A 90 13.004 8.944 -4.040 1.00 12.34 N ATOM 1525 CA SER A 90 13.669 8.755 -2.756 1.00 70.35 C ATOM 1526 C SER A 90 12.654 8.692 -1.607 1.00 74.13 C ATOM 1527 O SER A 90 11.519 9.153 -1.743 1.00 62.11 O ATOM 1528 CB SER A 90 14.655 9.915 -2.551 1.00 11.11 C ATOM 1529 OG SER A 90 15.427 10.160 -3.719 1.00 70.32 O ATOM 0 H SER A 90 12.548 9.853 -4.117 1.00 12.34 H new ATOM 0 HA SER A 90 14.204 7.806 -2.758 1.00 70.35 H new ATOM 0 HB2 SER A 90 14.105 10.817 -2.282 1.00 11.11 H new ATOM 0 HB3 SER A 90 15.319 9.686 -1.717 1.00 11.11 H new ATOM 0 HG SER A 90 16.042 10.905 -3.554 1.00 70.32 H new ATOM 1535 N VAL A 91 13.058 8.158 -0.450 1.00 12.32 N ATOM 1536 CA VAL A 91 12.177 8.059 0.719 1.00 43.34 C ATOM 1537 C VAL A 91 11.928 9.435 1.360 1.00 51.12 C ATOM 1538 O VAL A 91 10.944 9.635 2.073 1.00 65.13 O ATOM 1539 CB VAL A 91 12.718 7.049 1.753 1.00 3.21 C ATOM 1540 CG1 VAL A 91 12.759 5.634 1.161 1.00 64.41 C ATOM 1541 CG2 VAL A 91 14.110 7.400 2.304 1.00 52.33 C ATOM 0 H VAL A 91 13.995 7.786 -0.297 1.00 12.32 H new ATOM 0 HA VAL A 91 11.216 7.685 0.366 1.00 43.34 H new ATOM 0 HB VAL A 91 12.021 7.096 2.589 1.00 3.21 H new ATOM 0 HG11 VAL A 91 13.144 4.938 1.907 1.00 64.41 H new ATOM 0 HG12 VAL A 91 11.753 5.333 0.868 1.00 64.41 H new ATOM 0 HG13 VAL A 91 13.410 5.624 0.286 1.00 64.41 H new ATOM 0 HG21 VAL A 91 14.418 6.642 3.024 1.00 52.33 H new ATOM 0 HG22 VAL A 91 14.828 7.435 1.484 1.00 52.33 H new ATOM 0 HG23 VAL A 91 14.072 8.372 2.795 1.00 52.33 H new ATOM 1551 N SER A 92 12.788 10.410 1.087 1.00 34.54 N ATOM 1552 CA SER A 92 12.676 11.747 1.638 1.00 71.11 C ATOM 1553 C SER A 92 11.631 12.616 0.912 1.00 24.32 C ATOM 1554 O SER A 92 11.333 13.716 1.378 1.00 42.22 O ATOM 1555 CB SER A 92 14.074 12.373 1.585 1.00 70.21 C ATOM 1556 OG SER A 92 15.063 11.469 2.066 1.00 52.42 O ATOM 0 H SER A 92 13.590 10.288 0.469 1.00 34.54 H new ATOM 0 HA SER A 92 12.315 11.688 2.665 1.00 71.11 H new ATOM 0 HB2 SER A 92 14.308 12.660 0.560 1.00 70.21 H new ATOM 0 HB3 SER A 92 14.090 13.285 2.182 1.00 70.21 H new ATOM 0 HG SER A 92 15.945 11.894 2.019 1.00 52.42 H new ATOM 1562 N THR A 93 11.065 12.142 -0.197 1.00 44.41 N ATOM 1563 CA THR A 93 10.082 12.830 -1.026 1.00 14.12 C ATOM 1564 C THR A 93 8.659 12.633 -0.466 1.00 65.12 C ATOM 1565 O THR A 93 8.385 11.562 0.089 1.00 33.44 O ATOM 1566 CB THR A 93 10.207 12.204 -2.436 1.00 1.40 C ATOM 1567 OG1 THR A 93 11.568 12.084 -2.827 1.00 31.30 O ATOM 1568 CG2 THR A 93 9.479 12.973 -3.539 1.00 10.11 C ATOM 0 H THR A 93 11.294 11.216 -0.559 1.00 44.41 H new ATOM 0 HA THR A 93 10.262 13.905 -1.048 1.00 14.12 H new ATOM 0 HB THR A 93 9.732 11.228 -2.335 1.00 1.40 H new ATOM 0 HG1 THR A 93 11.886 11.178 -2.632 1.00 31.30 H new ATOM 0 HG21 THR A 93 9.620 12.463 -4.492 1.00 10.11 H new ATOM 0 HG22 THR A 93 8.415 13.021 -3.308 1.00 10.11 H new ATOM 0 HG23 THR A 93 9.882 13.984 -3.605 1.00 10.11 H new ATOM 1576 N PRO A 94 7.730 13.597 -0.631 1.00 74.25 N ATOM 1577 CA PRO A 94 6.371 13.435 -0.146 1.00 43.04 C ATOM 1578 C PRO A 94 5.547 12.526 -1.084 1.00 22.40 C ATOM 1579 O PRO A 94 5.687 12.487 -2.328 1.00 70.54 O ATOM 1580 CB PRO A 94 5.811 14.846 -0.018 1.00 23.32 C ATOM 1581 CG PRO A 94 6.514 15.608 -1.136 1.00 21.40 C ATOM 1582 CD PRO A 94 7.882 14.920 -1.233 1.00 10.40 C ATOM 0 HA PRO A 94 6.332 12.929 0.819 1.00 43.04 H new ATOM 0 HB2 PRO A 94 4.728 14.861 -0.141 1.00 23.32 H new ATOM 0 HB3 PRO A 94 6.027 15.277 0.960 1.00 23.32 H new ATOM 0 HG2 PRO A 94 5.964 15.542 -2.075 1.00 21.40 H new ATOM 0 HG3 PRO A 94 6.613 16.667 -0.899 1.00 21.40 H new ATOM 0 HD2 PRO A 94 8.201 14.838 -2.272 1.00 10.40 H new ATOM 0 HD3 PRO A 94 8.644 15.498 -0.710 1.00 10.40 H new ATOM 1590 N ILE A 95 4.682 11.732 -0.453 1.00 50.03 N ATOM 1591 CA ILE A 95 3.833 10.810 -1.188 1.00 61.53 C ATOM 1592 C ILE A 95 2.815 11.580 -2.037 1.00 43.22 C ATOM 1593 O ILE A 95 2.250 11.002 -2.956 1.00 44.45 O ATOM 1594 CB ILE A 95 3.260 9.720 -0.265 1.00 3.10 C ATOM 1595 CG1 ILE A 95 2.547 8.642 -1.114 1.00 2.24 C ATOM 1596 CG2 ILE A 95 2.394 10.314 0.861 1.00 50.04 C ATOM 1597 CD1 ILE A 95 2.385 7.294 -0.409 1.00 30.12 C ATOM 0 H ILE A 95 4.555 11.712 0.559 1.00 50.03 H new ATOM 0 HA ILE A 95 4.425 10.249 -1.911 1.00 61.53 H new ATOM 0 HB ILE A 95 4.076 9.222 0.258 1.00 3.10 H new ATOM 0 HG12 ILE A 95 1.562 9.012 -1.397 1.00 2.24 H new ATOM 0 HG13 ILE A 95 3.108 8.492 -2.036 1.00 2.24 H new ATOM 0 HG21 ILE A 95 2.010 9.509 1.488 1.00 50.04 H new ATOM 0 HG22 ILE A 95 2.998 10.989 1.467 1.00 50.04 H new ATOM 0 HG23 ILE A 95 1.560 10.865 0.426 1.00 50.04 H new ATOM 0 HD11 ILE A 95 1.876 6.595 -1.073 1.00 30.12 H new ATOM 0 HD12 ILE A 95 3.367 6.899 -0.150 1.00 30.12 H new ATOM 0 HD13 ILE A 95 1.796 7.427 0.499 1.00 30.12 H new ATOM 1609 N SER A 96 2.534 12.850 -1.725 1.00 62.43 N ATOM 1610 CA SER A 96 1.610 13.689 -2.474 1.00 22.24 C ATOM 1611 C SER A 96 2.106 13.796 -3.924 1.00 43.21 C ATOM 1612 O SER A 96 1.372 13.460 -4.863 1.00 44.21 O ATOM 1613 CB SER A 96 1.539 15.060 -1.787 1.00 22.21 C ATOM 1614 OG SER A 96 2.846 15.520 -1.513 1.00 14.13 O ATOM 0 H SER A 96 2.954 13.327 -0.927 1.00 62.43 H new ATOM 0 HA SER A 96 0.607 13.264 -2.494 1.00 22.24 H new ATOM 0 HB2 SER A 96 1.018 15.772 -2.427 1.00 22.21 H new ATOM 0 HB3 SER A 96 0.967 14.986 -0.862 1.00 22.21 H new ATOM 0 HG SER A 96 2.800 16.396 -1.076 1.00 14.13 H new ATOM 1620 N GLU A 97 3.351 14.259 -4.112 1.00 72.13 N ATOM 1621 CA GLU A 97 3.930 14.393 -5.436 1.00 72.43 C ATOM 1622 C GLU A 97 4.108 13.006 -6.035 1.00 3.42 C ATOM 1623 O GLU A 97 3.797 12.839 -7.214 1.00 64.55 O ATOM 1624 CB GLU A 97 5.190 15.264 -5.456 1.00 51.45 C ATOM 1625 CG GLU A 97 6.489 14.653 -4.930 1.00 53.11 C ATOM 1626 CD GLU A 97 7.617 15.686 -5.014 1.00 13.21 C ATOM 1627 OE1 GLU A 97 7.583 16.684 -4.258 1.00 42.31 O ATOM 1628 OE2 GLU A 97 8.539 15.526 -5.848 1.00 70.23 O ATOM 0 H GLU A 97 3.970 14.545 -3.353 1.00 72.13 H new ATOM 0 HA GLU A 97 3.244 14.946 -6.078 1.00 72.43 H new ATOM 0 HB2 GLU A 97 5.362 15.581 -6.485 1.00 51.45 H new ATOM 0 HB3 GLU A 97 4.984 16.164 -4.876 1.00 51.45 H new ATOM 0 HG2 GLU A 97 6.357 14.327 -3.898 1.00 53.11 H new ATOM 0 HG3 GLU A 97 6.748 13.769 -5.513 1.00 53.11 H new ATOM 1635 N VAL A 98 4.555 12.000 -5.258 1.00 2.00 N ATOM 1636 CA VAL A 98 4.669 10.676 -5.891 1.00 34.33 C ATOM 1637 C VAL A 98 3.296 10.201 -6.408 1.00 50.22 C ATOM 1638 O VAL A 98 3.234 9.615 -7.489 1.00 73.55 O ATOM 1639 CB VAL A 98 5.408 9.672 -4.991 1.00 14.00 C ATOM 1640 CG1 VAL A 98 5.244 8.198 -5.400 1.00 53.12 C ATOM 1641 CG2 VAL A 98 6.901 10.017 -5.080 1.00 73.23 C ATOM 0 H VAL A 98 4.822 12.064 -4.276 1.00 2.00 H new ATOM 0 HA VAL A 98 5.302 10.756 -6.775 1.00 34.33 H new ATOM 0 HB VAL A 98 4.984 9.760 -3.991 1.00 14.00 H new ATOM 0 HG11 VAL A 98 5.800 7.565 -4.708 1.00 53.12 H new ATOM 0 HG12 VAL A 98 4.188 7.928 -5.371 1.00 53.12 H new ATOM 0 HG13 VAL A 98 5.628 8.056 -6.410 1.00 53.12 H new ATOM 0 HG21 VAL A 98 7.471 9.329 -4.455 1.00 73.23 H new ATOM 0 HG22 VAL A 98 7.234 9.929 -6.114 1.00 73.23 H new ATOM 0 HG23 VAL A 98 7.060 11.038 -4.734 1.00 73.23 H new ATOM 1651 N TYR A 99 2.207 10.470 -5.682 1.00 73.41 N ATOM 1652 CA TYR A 99 0.859 10.085 -6.064 1.00 45.41 C ATOM 1653 C TYR A 99 0.522 10.665 -7.422 1.00 53.33 C ATOM 1654 O TYR A 99 0.254 9.902 -8.350 1.00 2.41 O ATOM 1655 CB TYR A 99 -0.171 10.557 -5.029 1.00 42.03 C ATOM 1656 CG TYR A 99 -1.601 10.126 -5.302 1.00 43.32 C ATOM 1657 CD1 TYR A 99 -1.884 8.759 -5.441 1.00 13.01 C ATOM 1658 CD2 TYR A 99 -2.654 11.062 -5.346 1.00 22.51 C ATOM 1659 CE1 TYR A 99 -3.202 8.309 -5.613 1.00 53.03 C ATOM 1660 CE2 TYR A 99 -3.980 10.623 -5.526 1.00 11.20 C ATOM 1661 CZ TYR A 99 -4.258 9.244 -5.670 1.00 50.45 C ATOM 1662 OH TYR A 99 -5.538 8.813 -5.834 1.00 3.22 O ATOM 0 H TYR A 99 2.246 10.972 -4.795 1.00 73.41 H new ATOM 0 HA TYR A 99 0.820 8.997 -6.110 1.00 45.41 H new ATOM 0 HB2 TYR A 99 0.124 10.183 -4.049 1.00 42.03 H new ATOM 0 HB3 TYR A 99 -0.139 11.645 -4.978 1.00 42.03 H new ATOM 0 HD1 TYR A 99 -1.076 8.043 -5.415 1.00 13.01 H new ATOM 0 HD2 TYR A 99 -2.444 12.116 -5.242 1.00 22.51 H new ATOM 0 HE1 TYR A 99 -3.407 7.252 -5.701 1.00 53.03 H new ATOM 0 HE2 TYR A 99 -4.786 11.341 -5.554 1.00 11.20 H new ATOM 0 HH TYR A 99 -5.533 7.921 -6.239 1.00 3.22 H new ATOM 1672 N GLU A 100 0.524 11.996 -7.545 1.00 44.32 N ATOM 1673 CA GLU A 100 0.185 12.599 -8.837 1.00 1.43 C ATOM 1674 C GLU A 100 1.180 12.245 -9.956 1.00 41.02 C ATOM 1675 O GLU A 100 0.824 12.341 -11.128 1.00 61.23 O ATOM 1676 CB GLU A 100 -0.046 14.114 -8.712 1.00 74.23 C ATOM 1677 CG GLU A 100 1.088 14.842 -7.989 1.00 25.20 C ATOM 1678 CD GLU A 100 0.953 16.364 -7.938 1.00 53.01 C ATOM 1679 OE1 GLU A 100 -0.167 16.914 -8.097 1.00 52.03 O ATOM 1680 OE2 GLU A 100 1.980 17.012 -7.633 1.00 70.54 O ATOM 0 H GLU A 100 0.747 12.654 -6.798 1.00 44.32 H new ATOM 0 HA GLU A 100 -0.761 12.152 -9.143 1.00 1.43 H new ATOM 0 HB2 GLU A 100 -0.164 14.540 -9.708 1.00 74.23 H new ATOM 0 HB3 GLU A 100 -0.980 14.289 -8.177 1.00 74.23 H new ATOM 0 HG2 GLU A 100 1.149 14.464 -6.969 1.00 25.20 H new ATOM 0 HG3 GLU A 100 2.029 14.592 -8.478 1.00 25.20 H new ATOM 1687 N SER A 101 2.390 11.784 -9.637 1.00 72.52 N ATOM 1688 CA SER A 101 3.405 11.436 -10.623 1.00 3.02 C ATOM 1689 C SER A 101 3.354 9.976 -11.104 1.00 63.22 C ATOM 1690 O SER A 101 3.835 9.694 -12.203 1.00 42.23 O ATOM 1691 CB SER A 101 4.748 11.744 -9.965 1.00 30.30 C ATOM 1692 OG SER A 101 5.792 11.938 -10.890 1.00 62.14 O ATOM 0 H SER A 101 2.693 11.641 -8.674 1.00 72.52 H new ATOM 0 HA SER A 101 3.234 12.016 -11.530 1.00 3.02 H new ATOM 0 HB2 SER A 101 4.646 12.638 -9.350 1.00 30.30 H new ATOM 0 HB3 SER A 101 5.013 10.925 -9.296 1.00 30.30 H new ATOM 0 HG SER A 101 6.623 12.133 -10.409 1.00 62.14 H new ATOM 1698 N GLU A 102 2.754 9.052 -10.347 1.00 43.12 N ATOM 1699 CA GLU A 102 2.663 7.621 -10.691 1.00 4.40 C ATOM 1700 C GLU A 102 1.214 7.112 -10.702 1.00 74.53 C ATOM 1701 O GLU A 102 0.987 5.925 -10.937 1.00 50.22 O ATOM 1702 CB GLU A 102 3.572 6.830 -9.730 1.00 11.42 C ATOM 1703 CG GLU A 102 5.071 7.100 -9.965 1.00 12.03 C ATOM 1704 CD GLU A 102 5.753 6.232 -11.030 1.00 54.42 C ATOM 1705 OE1 GLU A 102 5.126 5.342 -11.654 1.00 12.03 O ATOM 1706 OE2 GLU A 102 6.973 6.447 -11.240 1.00 72.14 O ATOM 0 H GLU A 102 2.307 9.278 -9.458 1.00 43.12 H new ATOM 0 HA GLU A 102 3.014 7.470 -11.712 1.00 4.40 H new ATOM 0 HB2 GLU A 102 3.318 7.089 -8.702 1.00 11.42 H new ATOM 0 HB3 GLU A 102 3.377 5.764 -9.848 1.00 11.42 H new ATOM 0 HG2 GLU A 102 5.191 8.146 -10.246 1.00 12.03 H new ATOM 0 HG3 GLU A 102 5.597 6.961 -9.020 1.00 12.03 H new ATOM 1713 N LYS A 103 0.230 7.988 -10.475 1.00 23.11 N ATOM 1714 CA LYS A 103 -1.200 7.688 -10.456 1.00 54.42 C ATOM 1715 C LYS A 103 -1.708 6.880 -11.648 1.00 11.40 C ATOM 1716 O LYS A 103 -1.583 7.304 -12.800 1.00 23.30 O ATOM 1717 CB LYS A 103 -2.007 9.003 -10.389 1.00 74.23 C ATOM 1718 CG LYS A 103 -1.650 10.044 -11.475 1.00 33.53 C ATOM 1719 CD LYS A 103 -2.820 10.351 -12.415 1.00 70.45 C ATOM 1720 CE LYS A 103 -3.790 11.307 -11.723 1.00 72.34 C ATOM 1721 NZ LYS A 103 -4.857 11.749 -12.633 1.00 74.35 N ATOM 0 H LYS A 103 0.422 8.973 -10.291 1.00 23.11 H new ATOM 0 HA LYS A 103 -1.345 7.067 -9.572 1.00 54.42 H new ATOM 0 HB2 LYS A 103 -3.068 8.765 -10.469 1.00 74.23 H new ATOM 0 HB3 LYS A 103 -1.855 9.456 -9.409 1.00 74.23 H new ATOM 0 HG2 LYS A 103 -1.326 10.967 -10.994 1.00 33.53 H new ATOM 0 HG3 LYS A 103 -0.807 9.676 -12.060 1.00 33.53 H new ATOM 0 HD2 LYS A 103 -2.451 10.796 -13.339 1.00 70.45 H new ATOM 0 HD3 LYS A 103 -3.333 9.429 -12.688 1.00 70.45 H new ATOM 0 HE2 LYS A 103 -4.231 10.814 -10.857 1.00 72.34 H new ATOM 0 HE3 LYS A 103 -3.244 12.175 -11.353 1.00 72.34 H new ATOM 0 HZ1 LYS A 103 -5.497 12.396 -12.130 1.00 74.35 H new ATOM 0 HZ2 LYS A 103 -4.437 12.241 -13.447 1.00 74.35 H new ATOM 0 HZ3 LYS A 103 -5.393 10.923 -12.967 1.00 74.35 H new ATOM 1735 N ASP A 104 -2.369 5.759 -11.370 1.00 53.32 N ATOM 1736 CA ASP A 104 -2.955 4.931 -12.408 1.00 74.24 C ATOM 1737 C ASP A 104 -4.218 5.655 -12.868 1.00 44.35 C ATOM 1738 O ASP A 104 -4.775 6.480 -12.136 1.00 52.31 O ATOM 1739 CB ASP A 104 -3.327 3.551 -11.858 1.00 22.22 C ATOM 1740 CG ASP A 104 -2.121 2.628 -11.915 1.00 42.35 C ATOM 1741 OD1 ASP A 104 -1.143 2.839 -11.173 1.00 74.51 O ATOM 1742 OD2 ASP A 104 -2.140 1.721 -12.775 1.00 15.03 O ATOM 0 H ASP A 104 -2.510 5.405 -10.424 1.00 53.32 H new ATOM 0 HA ASP A 104 -2.250 4.779 -13.226 1.00 74.24 H new ATOM 0 HB2 ASP A 104 -3.677 3.642 -10.830 1.00 22.22 H new ATOM 0 HB3 ASP A 104 -4.147 3.128 -12.438 1.00 22.22 H new ATOM 1747 N GLU A 105 -4.720 5.353 -14.066 1.00 61.45 N ATOM 1748 CA GLU A 105 -5.930 5.994 -14.581 1.00 72.53 C ATOM 1749 C GLU A 105 -7.145 5.664 -13.690 1.00 12.14 C ATOM 1750 O GLU A 105 -8.110 6.427 -13.675 1.00 63.11 O ATOM 1751 CB GLU A 105 -6.110 5.619 -16.065 1.00 21.30 C ATOM 1752 CG GLU A 105 -7.214 6.377 -16.825 1.00 15.42 C ATOM 1753 CD GLU A 105 -7.035 7.900 -16.851 1.00 5.33 C ATOM 1754 OE1 GLU A 105 -7.348 8.565 -15.838 1.00 25.43 O ATOM 1755 OE2 GLU A 105 -6.654 8.480 -17.893 1.00 71.23 O ATOM 0 H GLU A 105 -4.307 4.668 -14.698 1.00 61.45 H new ATOM 0 HA GLU A 105 -5.836 7.079 -14.541 1.00 72.53 H new ATOM 0 HB2 GLU A 105 -5.163 5.786 -16.579 1.00 21.30 H new ATOM 0 HB3 GLU A 105 -6.322 4.552 -16.126 1.00 21.30 H new ATOM 0 HG2 GLU A 105 -7.249 6.010 -17.851 1.00 15.42 H new ATOM 0 HG3 GLU A 105 -8.177 6.144 -16.370 1.00 15.42 H new ATOM 1762 N ASP A 106 -7.108 4.578 -12.902 1.00 23.20 N ATOM 1763 CA ASP A 106 -8.213 4.210 -12.008 1.00 12.10 C ATOM 1764 C ASP A 106 -8.156 4.960 -10.671 1.00 31.33 C ATOM 1765 O ASP A 106 -9.166 5.026 -9.971 1.00 54.21 O ATOM 1766 CB ASP A 106 -8.359 2.688 -11.836 1.00 73.35 C ATOM 1767 CG ASP A 106 -7.470 2.032 -10.780 1.00 22.21 C ATOM 1768 OD1 ASP A 106 -6.331 2.498 -10.557 1.00 44.11 O ATOM 1769 OD2 ASP A 106 -7.848 0.934 -10.308 1.00 3.13 O ATOM 0 H ASP A 106 -6.317 3.936 -12.868 1.00 23.20 H new ATOM 0 HA ASP A 106 -9.128 4.539 -12.501 1.00 12.10 H new ATOM 0 HB2 ASP A 106 -9.398 2.471 -11.590 1.00 73.35 H new ATOM 0 HB3 ASP A 106 -8.154 2.215 -12.796 1.00 73.35 H new ATOM 1774 N GLY A 107 -7.010 5.556 -10.328 1.00 1.23 N ATOM 1775 CA GLY A 107 -6.796 6.333 -9.113 1.00 2.42 C ATOM 1776 C GLY A 107 -5.992 5.679 -7.999 1.00 70.15 C ATOM 1777 O GLY A 107 -5.816 6.317 -6.956 1.00 44.34 O ATOM 0 H GLY A 107 -6.177 5.506 -10.914 1.00 1.23 H new ATOM 0 HA2 GLY A 107 -6.296 7.261 -9.390 1.00 2.42 H new ATOM 0 HA3 GLY A 107 -7.772 6.605 -8.710 1.00 2.42 H new ATOM 1781 N PHE A 108 -5.542 4.433 -8.147 1.00 24.23 N ATOM 1782 CA PHE A 108 -4.718 3.790 -7.124 1.00 2.21 C ATOM 1783 C PHE A 108 -3.237 4.050 -7.417 1.00 10.11 C ATOM 1784 O PHE A 108 -2.877 4.371 -8.552 1.00 41.34 O ATOM 1785 CB PHE A 108 -4.924 2.269 -7.144 1.00 55.11 C ATOM 1786 CG PHE A 108 -6.047 1.758 -6.270 1.00 62.24 C ATOM 1787 CD1 PHE A 108 -5.910 1.781 -4.869 1.00 61.43 C ATOM 1788 CD2 PHE A 108 -7.188 1.183 -6.852 1.00 73.55 C ATOM 1789 CE1 PHE A 108 -6.905 1.214 -4.054 1.00 4.24 C ATOM 1790 CE2 PHE A 108 -8.163 0.584 -6.038 1.00 41.21 C ATOM 1791 CZ PHE A 108 -8.028 0.605 -4.640 1.00 0.04 C ATOM 0 H PHE A 108 -5.733 3.851 -8.962 1.00 24.23 H new ATOM 0 HA PHE A 108 -5.006 4.199 -6.156 1.00 2.21 H new ATOM 0 HB2 PHE A 108 -5.115 1.958 -8.171 1.00 55.11 H new ATOM 0 HB3 PHE A 108 -3.996 1.789 -6.833 1.00 55.11 H new ATOM 0 HD1 PHE A 108 -5.039 2.235 -4.420 1.00 61.43 H new ATOM 0 HD2 PHE A 108 -7.316 1.201 -7.924 1.00 73.55 H new ATOM 0 HE1 PHE A 108 -6.807 1.246 -2.979 1.00 4.24 H new ATOM 0 HE2 PHE A 108 -9.020 0.105 -6.489 1.00 41.21 H new ATOM 0 HZ PHE A 108 -8.786 0.154 -4.017 1.00 0.04 H new ATOM 1801 N LEU A 109 -2.390 4.017 -6.384 1.00 12.11 N ATOM 1802 CA LEU A 109 -0.933 4.144 -6.523 1.00 73.24 C ATOM 1803 C LEU A 109 -0.358 2.747 -6.234 1.00 21.23 C ATOM 1804 O LEU A 109 -0.722 2.222 -5.179 1.00 25.40 O ATOM 1805 CB LEU A 109 -0.411 5.233 -5.576 1.00 64.43 C ATOM 1806 CG LEU A 109 0.879 5.950 -6.020 1.00 44.33 C ATOM 1807 CD1 LEU A 109 2.108 5.040 -6.080 1.00 1.00 C ATOM 1808 CD2 LEU A 109 0.690 6.660 -7.362 1.00 44.32 C ATOM 0 H LEU A 109 -2.697 3.900 -5.418 1.00 12.11 H new ATOM 0 HA LEU A 109 -0.625 4.460 -7.520 1.00 73.24 H new ATOM 0 HB2 LEU A 109 -1.193 5.981 -5.447 1.00 64.43 H new ATOM 0 HB3 LEU A 109 -0.236 4.784 -4.598 1.00 64.43 H new ATOM 0 HG LEU A 109 1.074 6.688 -5.242 1.00 44.33 H new ATOM 0 HD11 LEU A 109 2.974 5.619 -6.400 1.00 1.00 H new ATOM 0 HD12 LEU A 109 2.298 4.619 -5.093 1.00 1.00 H new ATOM 0 HD13 LEU A 109 1.929 4.233 -6.790 1.00 1.00 H new ATOM 0 HD21 LEU A 109 1.619 7.155 -7.646 1.00 44.32 H new ATOM 0 HD22 LEU A 109 0.420 5.930 -8.125 1.00 44.32 H new ATOM 0 HD23 LEU A 109 -0.104 7.401 -7.273 1.00 44.32 H new ATOM 1820 N TYR A 110 0.497 2.122 -7.053 1.00 34.43 N ATOM 1821 CA TYR A 110 1.032 0.783 -6.746 1.00 1.21 C ATOM 1822 C TYR A 110 2.492 0.833 -6.291 1.00 33.44 C ATOM 1823 O TYR A 110 3.379 1.265 -7.032 1.00 2.04 O ATOM 1824 CB TYR A 110 0.886 -0.171 -7.937 1.00 51.42 C ATOM 1825 CG TYR A 110 -0.538 -0.485 -8.345 1.00 63.25 C ATOM 1826 CD1 TYR A 110 -1.347 -1.318 -7.549 1.00 41.23 C ATOM 1827 CD2 TYR A 110 -1.047 0.037 -9.543 1.00 42.44 C ATOM 1828 CE1 TYR A 110 -2.686 -1.563 -7.913 1.00 54.31 C ATOM 1829 CE2 TYR A 110 -2.372 -0.220 -9.922 1.00 0.24 C ATOM 1830 CZ TYR A 110 -3.214 -0.987 -9.091 1.00 21.12 C ATOM 1831 OH TYR A 110 -4.510 -1.234 -9.438 1.00 1.40 O ATOM 0 H TYR A 110 0.834 2.517 -7.931 1.00 34.43 H new ATOM 0 HA TYR A 110 0.435 0.400 -5.918 1.00 1.21 H new ATOM 0 HB2 TYR A 110 1.405 0.261 -8.793 1.00 51.42 H new ATOM 0 HB3 TYR A 110 1.392 -1.106 -7.696 1.00 51.42 H new ATOM 0 HD1 TYR A 110 -0.940 -1.771 -6.657 1.00 41.23 H new ATOM 0 HD2 TYR A 110 -0.415 0.640 -10.177 1.00 42.44 H new ATOM 0 HE1 TYR A 110 -3.309 -2.190 -7.292 1.00 54.31 H new ATOM 0 HE2 TYR A 110 -2.750 0.171 -10.855 1.00 0.24 H new ATOM 0 HH TYR A 110 -4.720 -0.765 -10.272 1.00 1.40 H new ATOM 1841 N MET A 111 2.779 0.304 -5.098 1.00 34.12 N ATOM 1842 CA MET A 111 4.118 0.258 -4.514 1.00 61.13 C ATOM 1843 C MET A 111 4.474 -1.165 -4.102 1.00 1.32 C ATOM 1844 O MET A 111 3.631 -1.900 -3.574 1.00 21.41 O ATOM 1845 CB MET A 111 4.207 1.197 -3.299 1.00 41.04 C ATOM 1846 CG MET A 111 3.882 2.633 -3.729 1.00 3.33 C ATOM 1847 SD MET A 111 4.453 3.978 -2.658 1.00 73.23 S ATOM 1848 CE MET A 111 4.151 3.332 -0.992 1.00 25.21 C ATOM 0 H MET A 111 2.067 -0.114 -4.499 1.00 34.12 H new ATOM 0 HA MET A 111 4.831 0.591 -5.268 1.00 61.13 H new ATOM 0 HB2 MET A 111 3.511 0.873 -2.525 1.00 41.04 H new ATOM 0 HB3 MET A 111 5.207 1.154 -2.867 1.00 41.04 H new ATOM 0 HG2 MET A 111 4.305 2.791 -4.721 1.00 3.33 H new ATOM 0 HG3 MET A 111 2.800 2.718 -3.827 1.00 3.33 H new ATOM 0 HE1 MET A 111 4.636 3.976 -0.259 1.00 25.21 H new ATOM 0 HE2 MET A 111 3.078 3.307 -0.800 1.00 25.21 H new ATOM 0 HE3 MET A 111 4.557 2.324 -0.914 1.00 25.21 H new ATOM 1858 N VAL A 112 5.735 -1.547 -4.288 1.00 1.12 N ATOM 1859 CA VAL A 112 6.257 -2.860 -3.935 1.00 40.45 C ATOM 1860 C VAL A 112 7.473 -2.680 -3.029 1.00 42.41 C ATOM 1861 O VAL A 112 8.085 -1.608 -3.024 1.00 4.31 O ATOM 1862 CB VAL A 112 6.579 -3.730 -5.178 1.00 11.22 C ATOM 1863 CG1 VAL A 112 5.336 -4.467 -5.687 1.00 35.23 C ATOM 1864 CG2 VAL A 112 7.213 -2.955 -6.338 1.00 51.21 C ATOM 0 H VAL A 112 6.439 -0.934 -4.699 1.00 1.12 H new ATOM 0 HA VAL A 112 5.485 -3.409 -3.396 1.00 40.45 H new ATOM 0 HB VAL A 112 7.320 -4.447 -4.826 1.00 11.22 H new ATOM 0 HG11 VAL A 112 5.600 -5.066 -6.558 1.00 35.23 H new ATOM 0 HG12 VAL A 112 4.952 -5.118 -4.902 1.00 35.23 H new ATOM 0 HG13 VAL A 112 4.571 -3.742 -5.964 1.00 35.23 H new ATOM 0 HG21 VAL A 112 7.407 -3.635 -7.167 1.00 51.21 H new ATOM 0 HG22 VAL A 112 6.533 -2.169 -6.665 1.00 51.21 H new ATOM 0 HG23 VAL A 112 8.151 -2.509 -6.008 1.00 51.21 H new ATOM 1874 N TYR A 113 7.785 -3.680 -2.207 1.00 62.31 N ATOM 1875 CA TYR A 113 8.945 -3.632 -1.323 1.00 53.45 C ATOM 1876 C TYR A 113 9.721 -4.941 -1.406 1.00 44.13 C ATOM 1877 O TYR A 113 9.122 -6.015 -1.553 1.00 2.34 O ATOM 1878 CB TYR A 113 8.540 -3.293 0.113 1.00 41.32 C ATOM 1879 CG TYR A 113 7.738 -4.358 0.833 1.00 24.51 C ATOM 1880 CD1 TYR A 113 6.340 -4.397 0.697 1.00 55.33 C ATOM 1881 CD2 TYR A 113 8.395 -5.314 1.633 1.00 31.11 C ATOM 1882 CE1 TYR A 113 5.594 -5.384 1.361 1.00 43.34 C ATOM 1883 CE2 TYR A 113 7.657 -6.301 2.308 1.00 62.12 C ATOM 1884 CZ TYR A 113 6.251 -6.327 2.180 1.00 51.03 C ATOM 1885 OH TYR A 113 5.518 -7.246 2.855 1.00 42.34 O ATOM 0 H TYR A 113 7.243 -4.541 -2.136 1.00 62.31 H new ATOM 0 HA TYR A 113 9.604 -2.830 -1.656 1.00 53.45 H new ATOM 0 HB2 TYR A 113 9.443 -3.092 0.689 1.00 41.32 H new ATOM 0 HB3 TYR A 113 7.958 -2.371 0.100 1.00 41.32 H new ATOM 0 HD1 TYR A 113 5.838 -3.666 0.080 1.00 55.33 H new ATOM 0 HD2 TYR A 113 9.471 -5.288 1.728 1.00 31.11 H new ATOM 0 HE1 TYR A 113 4.521 -5.421 1.245 1.00 43.34 H new ATOM 0 HE2 TYR A 113 8.161 -7.034 2.920 1.00 62.12 H new ATOM 0 HH TYR A 113 6.093 -7.720 3.491 1.00 42.34 H new ATOM 1895 N ALA A 114 11.052 -4.841 -1.319 1.00 43.14 N ATOM 1896 CA ALA A 114 11.968 -5.974 -1.357 1.00 1.00 C ATOM 1897 C ALA A 114 13.289 -5.599 -0.677 1.00 40.14 C ATOM 1898 O ALA A 114 13.542 -4.432 -0.372 1.00 12.00 O ATOM 1899 CB ALA A 114 12.263 -6.354 -2.816 1.00 3.04 C ATOM 0 H ALA A 114 11.529 -3.945 -1.218 1.00 43.14 H new ATOM 0 HA ALA A 114 11.507 -6.814 -0.837 1.00 1.00 H new ATOM 0 HB1 ALA A 114 12.948 -7.201 -2.840 1.00 3.04 H new ATOM 0 HB2 ALA A 114 11.333 -6.625 -3.317 1.00 3.04 H new ATOM 0 HB3 ALA A 114 12.717 -5.506 -3.328 1.00 3.04 H new ATOM 1905 N SER A 115 14.160 -6.582 -0.489 1.00 4.30 N ATOM 1906 CA SER A 115 15.470 -6.447 0.108 1.00 20.31 C ATOM 1907 C SER A 115 16.460 -6.577 -1.050 1.00 35.14 C ATOM 1908 O SER A 115 17.058 -7.634 -1.261 1.00 73.35 O ATOM 1909 CB SER A 115 15.597 -7.513 1.208 1.00 32.42 C ATOM 1910 OG SER A 115 16.915 -7.670 1.697 1.00 71.51 O ATOM 0 H SER A 115 13.955 -7.542 -0.765 1.00 4.30 H new ATOM 0 HA SER A 115 15.662 -5.496 0.604 1.00 20.31 H new ATOM 0 HB2 SER A 115 14.941 -7.248 2.037 1.00 32.42 H new ATOM 0 HB3 SER A 115 15.247 -8.469 0.818 1.00 32.42 H new ATOM 0 HG SER A 115 16.926 -8.360 2.393 1.00 71.51 H new ATOM 1916 N GLN A 116 16.607 -5.495 -1.814 1.00 52.41 N ATOM 1917 CA GLN A 116 17.496 -5.357 -2.957 1.00 62.32 C ATOM 1918 C GLN A 116 17.300 -3.952 -3.505 1.00 34.13 C ATOM 1919 O GLN A 116 16.166 -3.477 -3.565 1.00 2.10 O ATOM 1920 CB GLN A 116 17.201 -6.398 -4.057 1.00 12.24 C ATOM 1921 CG GLN A 116 18.497 -7.127 -4.420 1.00 53.11 C ATOM 1922 CD GLN A 116 18.217 -8.373 -5.240 1.00 13.14 C ATOM 1923 OE1 GLN A 116 18.031 -9.452 -4.682 1.00 52.43 O ATOM 1924 NE2 GLN A 116 18.163 -8.259 -6.552 1.00 72.22 N ATOM 0 H GLN A 116 16.075 -4.643 -1.637 1.00 52.41 H new ATOM 0 HA GLN A 116 18.525 -5.527 -2.639 1.00 62.32 H new ATOM 0 HB2 GLN A 116 16.454 -7.111 -3.709 1.00 12.24 H new ATOM 0 HB3 GLN A 116 16.787 -5.907 -4.938 1.00 12.24 H new ATOM 0 HG2 GLN A 116 19.148 -6.458 -4.982 1.00 53.11 H new ATOM 0 HG3 GLN A 116 19.030 -7.400 -3.510 1.00 53.11 H new ATOM 0 HE21 GLN A 116 18.321 -7.352 -6.992 1.00 72.22 H new ATOM 0 HE22 GLN A 116 17.963 -9.077 -7.127 1.00 72.22 H new ATOM 1933 N GLU A 117 18.390 -3.291 -3.886 1.00 14.11 N ATOM 1934 CA GLU A 117 18.321 -1.941 -4.429 1.00 62.34 C ATOM 1935 C GLU A 117 17.982 -1.971 -5.920 1.00 1.21 C ATOM 1936 O GLU A 117 17.480 -0.985 -6.463 1.00 60.51 O ATOM 1937 CB GLU A 117 19.681 -1.263 -4.218 1.00 75.54 C ATOM 1938 CG GLU A 117 19.636 0.237 -4.532 1.00 2.12 C ATOM 1939 CD GLU A 117 20.916 0.981 -4.162 1.00 53.31 C ATOM 1940 OE1 GLU A 117 22.004 0.359 -4.077 1.00 35.11 O ATOM 1941 OE2 GLU A 117 20.847 2.229 -4.038 1.00 25.30 O ATOM 0 H GLU A 117 19.334 -3.672 -3.828 1.00 14.11 H new ATOM 0 HA GLU A 117 17.536 -1.385 -3.917 1.00 62.34 H new ATOM 0 HB2 GLU A 117 20.000 -1.407 -3.186 1.00 75.54 H new ATOM 0 HB3 GLU A 117 20.426 -1.743 -4.852 1.00 75.54 H new ATOM 0 HG2 GLU A 117 19.444 0.371 -5.597 1.00 2.12 H new ATOM 0 HG3 GLU A 117 18.798 0.686 -3.998 1.00 2.12 H new ATOM 1948 N THR A 118 18.292 -3.078 -6.595 1.00 23.52 N ATOM 1949 CA THR A 118 18.055 -3.253 -8.014 1.00 12.12 C ATOM 1950 C THR A 118 17.688 -4.704 -8.303 1.00 74.15 C ATOM 1951 O THR A 118 18.078 -5.607 -7.557 1.00 32.13 O ATOM 1952 CB THR A 118 19.326 -2.847 -8.777 1.00 43.22 C ATOM 1953 OG1 THR A 118 20.505 -3.334 -8.148 1.00 32.54 O ATOM 1954 CG2 THR A 118 19.471 -1.330 -8.927 1.00 51.31 C ATOM 0 H THR A 118 18.724 -3.891 -6.155 1.00 23.52 H new ATOM 0 HA THR A 118 17.225 -2.625 -8.338 1.00 12.12 H new ATOM 0 HB THR A 118 19.213 -3.298 -9.763 1.00 43.22 H new ATOM 0 HG1 THR A 118 21.290 -3.056 -8.665 1.00 32.54 H new ATOM 0 HG21 THR A 118 20.387 -1.104 -9.474 1.00 51.31 H new ATOM 0 HG22 THR A 118 18.615 -0.935 -9.474 1.00 51.31 H new ATOM 0 HG23 THR A 118 19.515 -0.869 -7.940 1.00 51.31 H new ATOM 1962 N PHE A 119 16.901 -4.911 -9.357 1.00 1.41 N ATOM 1963 CA PHE A 119 16.455 -6.214 -9.814 1.00 62.41 C ATOM 1964 C PHE A 119 17.336 -6.660 -10.979 1.00 33.23 C ATOM 1965 O PHE A 119 17.010 -7.707 -11.584 1.00 52.15 O ATOM 1966 CB PHE A 119 14.964 -6.133 -10.190 1.00 24.22 C ATOM 1967 CG PHE A 119 13.962 -5.858 -9.076 1.00 33.32 C ATOM 1968 CD1 PHE A 119 14.214 -6.215 -7.732 1.00 73.43 C ATOM 1969 CD2 PHE A 119 12.716 -5.292 -9.414 1.00 64.22 C ATOM 1970 CE1 PHE A 119 13.223 -6.022 -6.751 1.00 2.10 C ATOM 1971 CE2 PHE A 119 11.727 -5.102 -8.435 1.00 23.32 C ATOM 1972 CZ PHE A 119 11.975 -5.477 -7.104 1.00 40.03 C ATOM 0 H PHE A 119 16.547 -4.146 -9.932 1.00 1.41 H new ATOM 0 HA PHE A 119 16.551 -6.962 -9.027 1.00 62.41 H new ATOM 0 HB2 PHE A 119 14.851 -5.352 -10.942 1.00 24.22 H new ATOM 0 HB3 PHE A 119 14.687 -7.075 -10.664 1.00 24.22 H new ATOM 0 HD1 PHE A 119 15.169 -6.637 -7.457 1.00 73.43 H new ATOM 0 HD2 PHE A 119 12.520 -5.002 -10.436 1.00 64.22 H new ATOM 0 HE1 PHE A 119 13.421 -6.293 -5.725 1.00 2.10 H new ATOM 0 HE2 PHE A 119 10.776 -4.668 -8.705 1.00 23.32 H new ATOM 0 HZ PHE A 119 11.209 -5.347 -6.353 1.00 40.03 H new ATOM 2101 N PHE B 178 -9.253 -0.684 3.932 1.00 45.13 N ATOM 2102 CA PHE B 178 -7.966 -0.003 3.839 1.00 72.35 C ATOM 2103 C PHE B 178 -7.214 -0.027 5.175 1.00 44.23 C ATOM 2104 O PHE B 178 -7.770 -0.431 6.198 1.00 42.31 O ATOM 2105 CB PHE B 178 -8.211 1.434 3.353 1.00 65.22 C ATOM 2106 CG PHE B 178 -8.707 1.567 1.922 1.00 2.13 C ATOM 2107 CD1 PHE B 178 -10.064 1.364 1.609 1.00 33.12 C ATOM 2108 CD2 PHE B 178 -7.821 1.963 0.904 1.00 13.00 C ATOM 2109 CE1 PHE B 178 -10.518 1.490 0.284 1.00 41.43 C ATOM 2110 CE2 PHE B 178 -8.274 2.098 -0.420 1.00 43.34 C ATOM 2111 CZ PHE B 178 -9.618 1.846 -0.736 1.00 32.32 C ATOM 0 HA PHE B 178 -7.330 -0.526 3.125 1.00 72.35 H new ATOM 0 HB2 PHE B 178 -8.938 1.904 4.016 1.00 65.22 H new ATOM 0 HB3 PHE B 178 -7.282 1.995 3.450 1.00 65.22 H new ATOM 0 HD1 PHE B 178 -10.762 1.109 2.393 1.00 33.12 H new ATOM 0 HD2 PHE B 178 -6.787 2.165 1.141 1.00 13.00 H new ATOM 0 HE1 PHE B 178 -11.557 1.313 0.050 1.00 41.43 H new ATOM 0 HE2 PHE B 178 -7.585 2.397 -1.197 1.00 43.34 H new ATOM 0 HZ PHE B 178 -9.959 1.925 -1.758 1.00 32.32 H new ATOM 2121 N VAL B 179 -5.971 0.463 5.177 1.00 74.43 N ATOM 2122 CA VAL B 179 -5.079 0.544 6.327 1.00 31.10 C ATOM 2123 C VAL B 179 -4.513 1.962 6.421 1.00 4.12 C ATOM 2124 O VAL B 179 -3.668 2.341 5.607 1.00 50.33 O ATOM 2125 CB VAL B 179 -3.951 -0.502 6.172 1.00 63.24 C ATOM 2126 CG1 VAL B 179 -3.006 -0.534 7.373 1.00 32.53 C ATOM 2127 CG2 VAL B 179 -4.500 -1.918 6.020 1.00 22.54 C ATOM 0 H VAL B 179 -5.541 0.832 4.329 1.00 74.43 H new ATOM 0 HA VAL B 179 -5.621 0.327 7.247 1.00 31.10 H new ATOM 0 HB VAL B 179 -3.414 -0.192 5.276 1.00 63.24 H new ATOM 0 HG11 VAL B 179 -2.234 -1.286 7.209 1.00 32.53 H new ATOM 0 HG12 VAL B 179 -2.540 0.444 7.495 1.00 32.53 H new ATOM 0 HG13 VAL B 179 -3.569 -0.782 8.273 1.00 32.53 H new ATOM 0 HG21 VAL B 179 -3.673 -2.620 5.914 1.00 22.54 H new ATOM 0 HG22 VAL B 179 -5.085 -2.178 6.902 1.00 22.54 H new ATOM 0 HG23 VAL B 179 -5.135 -1.969 5.135 1.00 22.54 H new ATOM 2137 N GLU B 180 -4.996 2.794 7.348 1.00 52.03 N ATOM 2138 CA GLU B 180 -4.445 4.143 7.480 1.00 64.13 C ATOM 2139 C GLU B 180 -3.094 4.054 8.189 1.00 50.15 C ATOM 2140 O GLU B 180 -2.873 3.151 9.003 1.00 72.22 O ATOM 2141 CB GLU B 180 -5.350 5.122 8.239 1.00 30.31 C ATOM 2142 CG GLU B 180 -6.757 5.362 7.694 1.00 51.35 C ATOM 2143 CD GLU B 180 -7.461 6.371 8.604 1.00 3.12 C ATOM 2144 OE1 GLU B 180 -7.824 6.003 9.745 1.00 50.25 O ATOM 2145 OE2 GLU B 180 -7.537 7.567 8.229 1.00 1.00 O ATOM 0 H GLU B 180 -5.746 2.566 8.001 1.00 52.03 H new ATOM 0 HA GLU B 180 -4.349 4.541 6.470 1.00 64.13 H new ATOM 0 HB2 GLU B 180 -5.445 4.764 9.264 1.00 30.31 H new ATOM 0 HB3 GLU B 180 -4.840 6.084 8.283 1.00 30.31 H new ATOM 0 HG2 GLU B 180 -6.709 5.741 6.673 1.00 51.35 H new ATOM 0 HG3 GLU B 180 -7.316 4.427 7.661 1.00 51.35 H new ATOM 2152 N ILE B 181 -2.217 5.038 7.971 1.00 33.50 N ATOM 2153 CA ILE B 181 -0.918 5.011 8.640 1.00 63.21 C ATOM 2154 C ILE B 181 -1.154 5.421 10.096 1.00 23.43 C ATOM 2155 O ILE B 181 -1.853 6.394 10.382 1.00 51.33 O ATOM 2156 CB ILE B 181 0.071 6.005 7.977 1.00 42.32 C ATOM 2157 CG1 ILE B 181 0.603 5.417 6.654 1.00 10.24 C ATOM 2158 CG2 ILE B 181 1.260 6.367 8.893 1.00 31.21 C ATOM 2159 CD1 ILE B 181 1.832 6.181 6.150 1.00 65.22 C ATOM 0 H ILE B 181 -2.376 5.837 7.357 1.00 33.50 H new ATOM 0 HA ILE B 181 -0.482 4.014 8.569 1.00 63.21 H new ATOM 0 HB ILE B 181 -0.485 6.923 7.787 1.00 42.32 H new ATOM 0 HG12 ILE B 181 0.861 4.368 6.799 1.00 10.24 H new ATOM 0 HG13 ILE B 181 -0.182 5.451 5.899 1.00 10.24 H new ATOM 0 HG21 ILE B 181 1.918 7.065 8.376 1.00 31.21 H new ATOM 0 HG22 ILE B 181 0.887 6.829 9.807 1.00 31.21 H new ATOM 0 HG23 ILE B 181 1.815 5.463 9.143 1.00 31.21 H new ATOM 0 HD11 ILE B 181 2.178 5.738 5.216 1.00 65.22 H new ATOM 0 HD12 ILE B 181 1.567 7.225 5.980 1.00 65.22 H new ATOM 0 HD13 ILE B 181 2.626 6.125 6.895 1.00 65.22 H new ATOM 2171 N ARG B 182 -0.596 4.639 11.022 1.00 31.30 N ATOM 2172 CA ARG B 182 -0.675 4.892 12.454 1.00 3.01 C ATOM 2173 C ARG B 182 0.446 5.883 12.723 1.00 11.31 C ATOM 2174 O ARG B 182 1.609 5.491 12.624 1.00 13.22 O ATOM 2175 CB ARG B 182 -0.424 3.609 13.262 1.00 43.44 C ATOM 2176 CG ARG B 182 -1.519 2.545 13.081 1.00 14.23 C ATOM 2177 CD ARG B 182 -1.099 1.328 12.249 1.00 70.21 C ATOM 2178 NE ARG B 182 -0.318 0.357 13.044 1.00 3.33 N ATOM 2179 CZ ARG B 182 -0.727 -0.849 13.468 1.00 13.22 C ATOM 2180 NH1 ARG B 182 -1.958 -1.294 13.243 1.00 61.32 N ATOM 2181 NH2 ARG B 182 0.126 -1.623 14.116 1.00 21.44 N ATOM 0 H ARG B 182 -0.068 3.798 10.789 1.00 31.30 H new ATOM 0 HA ARG B 182 -1.659 5.260 12.743 1.00 3.01 H new ATOM 0 HB2 ARG B 182 0.536 3.185 12.966 1.00 43.44 H new ATOM 0 HB3 ARG B 182 -0.348 3.864 14.319 1.00 43.44 H new ATOM 0 HG2 ARG B 182 -1.840 2.202 14.065 1.00 14.23 H new ATOM 0 HG3 ARG B 182 -2.384 3.010 12.608 1.00 14.23 H new ATOM 0 HD2 ARG B 182 -1.987 0.838 11.849 1.00 70.21 H new ATOM 0 HD3 ARG B 182 -0.506 1.659 11.396 1.00 70.21 H new ATOM 0 HE ARG B 182 0.631 0.632 13.297 1.00 3.33 H new ATOM 0 HH11 ARG B 182 -2.625 -0.714 12.734 1.00 61.32 H new ATOM 0 HH12 ARG B 182 -2.236 -2.216 13.579 1.00 61.32 H new ATOM 0 HH21 ARG B 182 1.079 -1.301 14.287 1.00 21.44 H new ATOM 0 HH22 ARG B 182 -0.168 -2.542 14.445 1.00 21.44 H new