USER MOD reduce.3.24.130724 H: found=0, std=0, add=1016, rem=0, adj=30 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 60 MET CE :methyl 154:sc= -0.0208 (180deg=-0.0564) USER MOD Set 1.2: A 111 MET CE :methyl -161:sc= -0.162 (180deg=-0.564) USER MOD Set 2.1: A 74 ASN :FLIP amide:sc= -0.936! C(o=-4.2!,f=-0.0093!) USER MOD Set 2.2: A 76 ASN : amide:sc= 0.927 K(o=-0.0093,f=-6.8!) USER MOD Set 2.3: A 77 GLN : amide:sc= 0 X(o=-0.0093,f=-0.031) USER MOD Set 3.1: A 26 GLN :FLIP amide:sc= 0.168 X(o=-0.99,f=-0.93) USER MOD Set 3.2: A 27 HIS : no HE2:sc= -1.09 X(o=-0.93,f=-0.99) USER MOD Set 4.1: A 6 THR OG1 : rot -84:sc= 0.272 USER MOD Set 4.2: A 9 GLN :FLIP amide:sc= 0.25 F(o=0,f=0.52) USER MOD Set 5.1: A 8 LYS NZ :NH3+ 142:sc= 0.824 (180deg=-0.0122) USER MOD Set 5.2: A 110 TYR OH : rot 168:sc= 0.291 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00665 USER MOD Single : A 15 GLN : amide:sc= -0.0311 X(o=-0.031,f=-0.53) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -117:sc= 0.868 (180deg=-0.0101) 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 43 GLN : amide:sc= -1.2 X(o=-1.2,f=-1.6!) USER MOD Single : A 49 LYS NZ :NH3+ -162:sc= 1.34 (180deg=1.13) USER MOD Single : A 50 THR OG1 : rot 165:sc= 1.06 USER MOD Single : A 51 LYS NZ :NH3+ 160:sc= 1.2 (180deg=0.586) USER MOD Single : A 57 HIS : no HD1:sc= -0.916 K(o=-0.92,f=-1.9!) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.687 F(o=-3.1!,f=-0.69) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0256 USER MOD Single : A 65 LYS NZ :NH3+ 179:sc= 1.2 (180deg=1.2) USER MOD Single : A 72 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.005) USER MOD Single : A 84 ASN : amide:sc= 0.555 K(o=0.55,f=-1.7!) USER MOD Single : A 86 HIS : no HD1:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl -162:sc= 0 (180deg=-0.324) 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 180:sc= -0.104 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot -5:sc= 1.27 USER MOD Single : A 101 SER OG : rot 70:sc= 0.367 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot -159:sc= -0.152 USER MOD Single : A 115 SER OG : rot 86:sc= 0.666 USER MOD Single : A 116 GLN : amide:sc= 0.99 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 -4.767 -13.339 -4.781 1.00 22.31 N ATOM 65 CA THR A 6 -4.343 -12.062 -4.238 1.00 13.13 C ATOM 66 C THR A 6 -5.569 -11.153 -4.095 1.00 10.44 C ATOM 67 O THR A 6 -6.615 -11.387 -4.709 1.00 74.01 O ATOM 68 CB THR A 6 -3.253 -11.447 -5.141 1.00 25.42 C ATOM 69 OG1 THR A 6 -3.792 -11.034 -6.383 1.00 32.13 O ATOM 70 CG2 THR A 6 -2.109 -12.431 -5.425 1.00 22.00 C ATOM 0 HA THR A 6 -3.903 -12.189 -3.249 1.00 13.13 H new ATOM 0 HB THR A 6 -2.861 -10.590 -4.594 1.00 25.42 H new ATOM 0 HG1 THR A 6 -3.822 -11.797 -6.997 1.00 32.13 H new ATOM 0 HG21 THR A 6 -1.367 -11.952 -6.064 1.00 22.00 H new ATOM 0 HG22 THR A 6 -1.642 -12.727 -4.486 1.00 22.00 H new ATOM 0 HG23 THR A 6 -2.505 -13.314 -5.927 1.00 22.00 H new ATOM 78 N PHE A 7 -5.418 -10.051 -3.362 1.00 62.23 N ATOM 79 CA PHE A 7 -6.448 -9.049 -3.117 1.00 62.13 C ATOM 80 C PHE A 7 -7.090 -8.595 -4.433 1.00 34.22 C ATOM 81 O PHE A 7 -8.310 -8.516 -4.533 1.00 30.24 O ATOM 82 CB PHE A 7 -5.816 -7.849 -2.388 1.00 42.21 C ATOM 83 CG PHE A 7 -4.724 -7.146 -3.171 1.00 43.23 C ATOM 84 CD1 PHE A 7 -3.405 -7.646 -3.182 1.00 30.34 C ATOM 85 CD2 PHE A 7 -5.053 -6.031 -3.962 1.00 30.14 C ATOM 86 CE1 PHE A 7 -2.431 -7.049 -4.001 1.00 52.41 C ATOM 87 CE2 PHE A 7 -4.087 -5.465 -4.802 1.00 72.45 C ATOM 88 CZ PHE A 7 -2.777 -5.964 -4.824 1.00 52.55 C ATOM 0 H PHE A 7 -4.535 -9.825 -2.904 1.00 62.23 H new ATOM 0 HA PHE A 7 -7.231 -9.484 -2.497 1.00 62.13 H new ATOM 0 HB2 PHE A 7 -6.599 -7.128 -2.153 1.00 42.21 H new ATOM 0 HB3 PHE A 7 -5.403 -8.192 -1.439 1.00 42.21 H new ATOM 0 HD1 PHE A 7 -3.143 -8.489 -2.560 1.00 30.34 H new ATOM 0 HD2 PHE A 7 -6.048 -5.613 -3.922 1.00 30.14 H new ATOM 0 HE1 PHE A 7 -1.418 -7.424 -3.998 1.00 52.41 H new ATOM 0 HE2 PHE A 7 -4.354 -4.635 -5.440 1.00 72.45 H new ATOM 0 HZ PHE A 7 -2.037 -5.516 -5.471 1.00 52.55 H new ATOM 98 N LYS A 8 -6.287 -8.362 -5.475 1.00 73.41 N ATOM 99 CA LYS A 8 -6.790 -7.919 -6.764 1.00 52.24 C ATOM 100 C LYS A 8 -7.677 -8.993 -7.390 1.00 25.12 C ATOM 101 O LYS A 8 -8.741 -8.678 -7.898 1.00 70.44 O ATOM 102 CB LYS A 8 -5.616 -7.498 -7.657 1.00 50.51 C ATOM 103 CG LYS A 8 -6.074 -6.464 -8.693 1.00 43.31 C ATOM 104 CD LYS A 8 -4.939 -6.001 -9.612 1.00 54.24 C ATOM 105 CE LYS A 8 -3.834 -5.198 -8.906 1.00 53.14 C ATOM 106 NZ LYS A 8 -4.289 -3.879 -8.423 1.00 63.03 N ATOM 0 H LYS A 8 -5.274 -8.477 -5.442 1.00 73.41 H new ATOM 0 HA LYS A 8 -7.425 -7.042 -6.639 1.00 52.24 H new ATOM 0 HB2 LYS A 8 -4.817 -7.079 -7.045 1.00 50.51 H new ATOM 0 HB3 LYS A 8 -5.205 -8.371 -8.163 1.00 50.51 H new ATOM 0 HG2 LYS A 8 -6.873 -6.892 -9.298 1.00 43.31 H new ATOM 0 HG3 LYS A 8 -6.493 -5.600 -8.177 1.00 43.31 H new ATOM 0 HD2 LYS A 8 -4.490 -6.876 -10.083 1.00 54.24 H new ATOM 0 HD3 LYS A 8 -5.361 -5.390 -10.410 1.00 54.24 H new ATOM 0 HE2 LYS A 8 -3.457 -5.776 -8.062 1.00 53.14 H new ATOM 0 HE3 LYS A 8 -3.000 -5.058 -9.594 1.00 53.14 H new ATOM 0 HZ1 LYS A 8 -3.846 -3.674 -7.504 1.00 63.03 H new ATOM 0 HZ2 LYS A 8 -4.018 -3.146 -9.109 1.00 63.03 H new ATOM 0 HZ3 LYS A 8 -5.323 -3.887 -8.315 1.00 63.03 H new ATOM 120 N GLN A 9 -7.291 -10.270 -7.312 1.00 5.34 N ATOM 121 CA GLN A 9 -8.085 -11.363 -7.868 1.00 30.20 C ATOM 122 C GLN A 9 -9.420 -11.494 -7.133 1.00 32.20 C ATOM 123 O GLN A 9 -10.451 -11.727 -7.762 1.00 44.12 O ATOM 124 CB GLN A 9 -7.295 -12.685 -7.790 1.00 3.21 C ATOM 125 CG GLN A 9 -6.601 -13.006 -9.116 1.00 12.53 C ATOM 126 CD GLN A 9 -5.211 -12.421 -9.146 1.00 10.51 C ATOM 127 OE1 GLN A 9 -4.260 -13.126 -8.573 1.00 25.41 O flip ATOM 128 NE2 GLN A 9 -4.978 -11.323 -9.642 1.00 42.33 N flip ATOM 0 H GLN A 9 -6.425 -10.571 -6.864 1.00 5.34 H new ATOM 0 HA GLN A 9 -8.295 -11.140 -8.914 1.00 30.20 H new ATOM 0 HB2 GLN A 9 -6.551 -12.619 -6.996 1.00 3.21 H new ATOM 0 HB3 GLN A 9 -7.971 -13.498 -7.526 1.00 3.21 H new ATOM 0 HG2 GLN A 9 -6.549 -14.086 -9.253 1.00 12.53 H new ATOM 0 HG3 GLN A 9 -7.187 -12.607 -9.944 1.00 12.53 H new ATOM 0 HE21 GLN A 9 -5.730 -10.792 -10.082 1.00 42.33 H new ATOM 0 HE22 GLN A 9 -4.033 -10.941 -9.615 1.00 42.33 H new ATOM 137 N ARG A 10 -9.434 -11.336 -5.807 1.00 53.33 N ATOM 138 CA ARG A 10 -10.658 -11.427 -5.001 1.00 3.21 C ATOM 139 C ARG A 10 -11.535 -10.166 -5.083 1.00 5.32 C ATOM 140 O ARG A 10 -12.551 -10.115 -4.396 1.00 31.31 O ATOM 141 CB ARG A 10 -10.344 -11.879 -3.554 1.00 10.41 C ATOM 142 CG ARG A 10 -9.433 -10.917 -2.781 1.00 25.51 C ATOM 143 CD ARG A 10 -8.848 -11.459 -1.467 1.00 44.23 C ATOM 144 NE ARG A 10 -9.890 -11.601 -0.455 1.00 74.54 N ATOM 145 CZ ARG A 10 -9.854 -11.295 0.849 1.00 63.52 C ATOM 146 NH1 ARG A 10 -8.769 -10.784 1.412 1.00 21.13 N ATOM 147 NH2 ARG A 10 -10.907 -11.499 1.630 1.00 25.32 N ATOM 0 H ARG A 10 -8.596 -11.141 -5.259 1.00 53.33 H new ATOM 0 HA ARG A 10 -11.276 -12.209 -5.442 1.00 3.21 H new ATOM 0 HB2 ARG A 10 -11.281 -11.992 -3.009 1.00 10.41 H new ATOM 0 HB3 ARG A 10 -9.873 -12.862 -3.586 1.00 10.41 H new ATOM 0 HG2 ARG A 10 -8.608 -10.627 -3.431 1.00 25.51 H new ATOM 0 HG3 ARG A 10 -9.998 -10.012 -2.559 1.00 25.51 H new ATOM 0 HD2 ARG A 10 -8.374 -12.424 -1.646 1.00 44.23 H new ATOM 0 HD3 ARG A 10 -8.072 -10.785 -1.104 1.00 44.23 H new ATOM 0 HE ARG A 10 -10.772 -11.989 -0.788 1.00 74.54 H new ATOM 0 HH11 ARG A 10 -7.935 -10.615 0.850 1.00 21.13 H new ATOM 0 HH12 ARG A 10 -8.768 -10.560 2.407 1.00 21.13 H new ATOM 0 HH21 ARG A 10 -11.762 -11.895 1.240 1.00 25.32 H new ATOM 0 HH22 ARG A 10 -10.861 -11.260 2.621 1.00 25.32 H new ATOM 161 N ARG A 11 -11.175 -9.136 -5.865 1.00 63.45 N ATOM 162 CA ARG A 11 -11.952 -7.897 -5.991 1.00 32.24 C ATOM 163 C ARG A 11 -12.129 -7.467 -7.448 1.00 33.13 C ATOM 164 O ARG A 11 -11.143 -7.265 -8.168 1.00 70.51 O ATOM 165 CB ARG A 11 -11.274 -6.753 -5.229 1.00 62.11 C ATOM 166 CG ARG A 11 -11.061 -6.959 -3.724 1.00 11.13 C ATOM 167 CD ARG A 11 -12.332 -6.998 -2.869 1.00 23.51 C ATOM 168 NE ARG A 11 -11.934 -7.187 -1.472 1.00 23.43 N ATOM 169 CZ ARG A 11 -12.688 -7.436 -0.402 1.00 45.34 C ATOM 170 NH1 ARG A 11 -14.011 -7.491 -0.480 1.00 43.32 N ATOM 171 NH2 ARG A 11 -12.078 -7.641 0.757 1.00 5.01 N ATOM 0 H ARG A 11 -10.327 -9.142 -6.432 1.00 63.45 H new ATOM 0 HA ARG A 11 -12.934 -8.107 -5.567 1.00 32.24 H new ATOM 0 HB2 ARG A 11 -10.303 -6.567 -5.688 1.00 62.11 H new ATOM 0 HB3 ARG A 11 -11.870 -5.851 -5.368 1.00 62.11 H new ATOM 0 HG2 ARG A 11 -10.519 -7.893 -3.578 1.00 11.13 H new ATOM 0 HG3 ARG A 11 -10.421 -6.158 -3.354 1.00 11.13 H new ATOM 0 HD2 ARG A 11 -12.896 -6.072 -2.982 1.00 23.51 H new ATOM 0 HD3 ARG A 11 -12.984 -7.810 -3.192 1.00 23.51 H new ATOM 0 HE ARG A 11 -10.932 -7.118 -1.292 1.00 23.43 H new ATOM 0 HH11 ARG A 11 -14.476 -7.341 -1.375 1.00 43.32 H new ATOM 0 HH12 ARG A 11 -14.564 -7.684 0.355 1.00 43.32 H new ATOM 0 HH21 ARG A 11 -11.060 -7.606 0.811 1.00 5.01 H new ATOM 0 HH22 ARG A 11 -12.627 -7.834 1.595 1.00 5.01 H new ATOM 185 N THR A 12 -13.374 -7.311 -7.891 1.00 12.31 N ATOM 186 CA THR A 12 -13.760 -6.888 -9.240 1.00 4.42 C ATOM 187 C THR A 12 -13.171 -5.499 -9.554 1.00 25.24 C ATOM 188 O THR A 12 -12.721 -4.807 -8.641 1.00 50.02 O ATOM 189 CB THR A 12 -15.302 -6.869 -9.285 1.00 5.24 C ATOM 190 OG1 THR A 12 -15.802 -8.115 -8.848 1.00 11.23 O ATOM 191 CG2 THR A 12 -15.900 -6.609 -10.663 1.00 43.14 C ATOM 0 H THR A 12 -14.182 -7.484 -7.293 1.00 12.31 H new ATOM 0 HA THR A 12 -13.372 -7.573 -9.994 1.00 4.42 H new ATOM 0 HB THR A 12 -15.592 -6.041 -8.638 1.00 5.24 H new ATOM 0 HG1 THR A 12 -16.782 -8.102 -8.875 1.00 11.23 H new ATOM 0 HG21 THR A 12 -16.988 -6.614 -10.594 1.00 43.14 H new ATOM 0 HG22 THR A 12 -15.564 -5.638 -11.028 1.00 43.14 H new ATOM 0 HG23 THR A 12 -15.576 -7.388 -11.353 1.00 43.14 H new ATOM 199 N PHE A 13 -13.143 -5.082 -10.828 1.00 3.30 N ATOM 200 CA PHE A 13 -12.628 -3.759 -11.181 1.00 74.15 C ATOM 201 C PHE A 13 -13.510 -2.725 -10.479 1.00 2.03 C ATOM 202 O PHE A 13 -13.005 -1.864 -9.766 1.00 3.24 O ATOM 203 CB PHE A 13 -12.593 -3.548 -12.699 1.00 23.13 C ATOM 204 CG PHE A 13 -11.921 -2.241 -13.071 1.00 70.51 C ATOM 205 CD1 PHE A 13 -10.522 -2.180 -13.219 1.00 62.21 C ATOM 206 CD2 PHE A 13 -12.687 -1.069 -13.213 1.00 23.31 C ATOM 207 CE1 PHE A 13 -9.893 -0.956 -13.504 1.00 12.41 C ATOM 208 CE2 PHE A 13 -12.056 0.155 -13.493 1.00 11.01 C ATOM 209 CZ PHE A 13 -10.659 0.214 -13.628 1.00 4.23 C ATOM 0 H PHE A 13 -13.468 -5.637 -11.620 1.00 3.30 H new ATOM 0 HA PHE A 13 -11.595 -3.655 -10.850 1.00 74.15 H new ATOM 0 HB2 PHE A 13 -12.062 -4.376 -13.169 1.00 23.13 H new ATOM 0 HB3 PHE A 13 -13.610 -3.558 -13.091 1.00 23.13 H new ATOM 0 HD1 PHE A 13 -9.930 -3.077 -13.113 1.00 62.21 H new ATOM 0 HD2 PHE A 13 -13.761 -1.110 -13.107 1.00 23.31 H new ATOM 0 HE1 PHE A 13 -8.821 -0.915 -13.628 1.00 12.41 H new ATOM 0 HE2 PHE A 13 -12.646 1.052 -13.605 1.00 11.01 H new ATOM 0 HZ PHE A 13 -10.175 1.159 -13.827 1.00 4.23 H new ATOM 219 N GLU A 14 -14.833 -2.896 -10.585 1.00 64.23 N ATOM 220 CA GLU A 14 -15.829 -2.031 -9.960 1.00 50.31 C ATOM 221 C GLU A 14 -15.535 -1.953 -8.463 1.00 53.15 C ATOM 222 O GLU A 14 -15.322 -0.873 -7.927 1.00 53.11 O ATOM 223 CB GLU A 14 -17.247 -2.583 -10.200 1.00 33.40 C ATOM 224 CG GLU A 14 -17.574 -2.798 -11.681 1.00 4.00 C ATOM 225 CD GLU A 14 -17.308 -1.541 -12.509 1.00 74.12 C ATOM 226 OE1 GLU A 14 -17.848 -0.462 -12.176 1.00 13.44 O ATOM 227 OE2 GLU A 14 -16.567 -1.640 -13.513 1.00 11.43 O ATOM 0 H GLU A 14 -15.246 -3.659 -11.121 1.00 64.23 H new ATOM 0 HA GLU A 14 -15.778 -1.034 -10.399 1.00 50.31 H new ATOM 0 HB2 GLU A 14 -17.355 -3.530 -9.671 1.00 33.40 H new ATOM 0 HB3 GLU A 14 -17.974 -1.894 -9.771 1.00 33.40 H new ATOM 0 HG2 GLU A 14 -16.976 -3.622 -12.069 1.00 4.00 H new ATOM 0 HG3 GLU A 14 -18.620 -3.087 -11.784 1.00 4.00 H new ATOM 234 N GLN A 15 -15.411 -3.115 -7.814 1.00 62.55 N ATOM 235 CA GLN A 15 -15.122 -3.249 -6.393 1.00 43.23 C ATOM 236 C GLN A 15 -13.855 -2.479 -5.998 1.00 54.11 C ATOM 237 O GLN A 15 -13.754 -1.982 -4.877 1.00 33.31 O ATOM 238 CB GLN A 15 -14.931 -4.744 -6.084 1.00 12.04 C ATOM 239 CG GLN A 15 -15.130 -5.111 -4.614 1.00 10.40 C ATOM 240 CD GLN A 15 -16.587 -4.999 -4.178 1.00 25.34 C ATOM 241 OE1 GLN A 15 -17.510 -5.360 -4.910 1.00 61.42 O ATOM 242 NE2 GLN A 15 -16.820 -4.582 -2.949 1.00 52.11 N ATOM 0 H GLN A 15 -15.513 -4.015 -8.284 1.00 62.55 H new ATOM 0 HA GLN A 15 -15.951 -2.832 -5.822 1.00 43.23 H new ATOM 0 HB2 GLN A 15 -15.631 -5.321 -6.689 1.00 12.04 H new ATOM 0 HB3 GLN A 15 -13.927 -5.041 -6.388 1.00 12.04 H new ATOM 0 HG2 GLN A 15 -14.781 -6.130 -4.446 1.00 10.40 H new ATOM 0 HG3 GLN A 15 -14.517 -4.458 -3.993 1.00 10.40 H new ATOM 0 HE21 GLN A 15 -16.045 -4.286 -2.355 1.00 52.11 H new ATOM 0 HE22 GLN A 15 -17.775 -4.555 -2.592 1.00 52.11 H new ATOM 251 N ARG A 16 -12.846 -2.437 -6.873 1.00 25.11 N ATOM 252 CA ARG A 16 -11.604 -1.731 -6.600 1.00 21.41 C ATOM 253 C ARG A 16 -11.841 -0.239 -6.665 1.00 73.13 C ATOM 254 O ARG A 16 -11.414 0.450 -5.747 1.00 23.51 O ATOM 255 CB ARG A 16 -10.475 -2.238 -7.500 1.00 3.20 C ATOM 256 CG ARG A 16 -10.006 -3.588 -6.946 1.00 52.41 C ATOM 257 CD ARG A 16 -8.891 -4.217 -7.768 1.00 61.32 C ATOM 258 NE ARG A 16 -9.403 -4.962 -8.924 1.00 62.55 N ATOM 259 CZ ARG A 16 -9.145 -4.702 -10.210 1.00 45.23 C ATOM 260 NH1 ARG A 16 -8.572 -3.566 -10.592 1.00 73.03 N ATOM 261 NH2 ARG A 16 -9.454 -5.618 -11.117 1.00 22.12 N ATOM 0 H ARG A 16 -12.873 -2.892 -7.786 1.00 25.11 H new ATOM 0 HA ARG A 16 -11.266 -1.942 -5.585 1.00 21.41 H new ATOM 0 HB2 ARG A 16 -10.824 -2.347 -8.527 1.00 3.20 H new ATOM 0 HB3 ARG A 16 -9.651 -1.525 -7.518 1.00 3.20 H new ATOM 0 HG2 ARG A 16 -9.661 -3.453 -5.921 1.00 52.41 H new ATOM 0 HG3 ARG A 16 -10.853 -4.273 -6.910 1.00 52.41 H new ATOM 0 HD2 ARG A 16 -8.213 -3.437 -8.113 1.00 61.32 H new ATOM 0 HD3 ARG A 16 -8.310 -4.888 -7.135 1.00 61.32 H new ATOM 0 HE ARG A 16 -10.015 -5.754 -8.728 1.00 62.55 H new ATOM 0 HH11 ARG A 16 -8.317 -2.865 -9.897 1.00 73.03 H new ATOM 0 HH12 ARG A 16 -8.387 -3.395 -11.580 1.00 73.03 H new ATOM 0 HH21 ARG A 16 -9.879 -6.499 -10.828 1.00 22.12 H new ATOM 0 HH22 ARG A 16 -9.266 -5.442 -12.104 1.00 22.12 H new ATOM 275 N VAL A 17 -12.522 0.280 -7.684 1.00 42.15 N ATOM 276 CA VAL A 17 -12.783 1.720 -7.753 1.00 43.12 C ATOM 277 C VAL A 17 -13.688 2.112 -6.564 1.00 63.11 C ATOM 278 O VAL A 17 -13.509 3.172 -5.961 1.00 21.14 O ATOM 279 CB VAL A 17 -13.384 2.093 -9.124 1.00 13.22 C ATOM 280 CG1 VAL A 17 -13.554 3.613 -9.252 1.00 5.01 C ATOM 281 CG2 VAL A 17 -12.485 1.639 -10.288 1.00 52.25 C ATOM 0 H VAL A 17 -12.898 -0.262 -8.462 1.00 42.15 H new ATOM 0 HA VAL A 17 -11.856 2.287 -7.669 1.00 43.12 H new ATOM 0 HB VAL A 17 -14.348 1.586 -9.179 1.00 13.22 H new ATOM 0 HG11 VAL A 17 -13.979 3.851 -10.227 1.00 5.01 H new ATOM 0 HG12 VAL A 17 -14.221 3.972 -8.468 1.00 5.01 H new ATOM 0 HG13 VAL A 17 -12.583 4.097 -9.152 1.00 5.01 H new ATOM 0 HG21 VAL A 17 -12.945 1.921 -11.235 1.00 52.25 H new ATOM 0 HG22 VAL A 17 -11.509 2.117 -10.202 1.00 52.25 H new ATOM 0 HG23 VAL A 17 -12.363 0.556 -10.253 1.00 52.25 H new ATOM 291 N GLU A 18 -14.599 1.217 -6.170 1.00 10.34 N ATOM 292 CA GLU A 18 -15.536 1.388 -5.068 1.00 13.31 C ATOM 293 C GLU A 18 -14.728 1.498 -3.761 1.00 25.41 C ATOM 294 O GLU A 18 -15.041 2.346 -2.928 1.00 41.22 O ATOM 295 CB GLU A 18 -16.570 0.238 -5.119 1.00 71.41 C ATOM 296 CG GLU A 18 -17.889 0.458 -4.352 1.00 3.22 C ATOM 297 CD GLU A 18 -19.137 0.288 -5.245 1.00 24.53 C ATOM 298 OE1 GLU A 18 -19.439 -0.832 -5.724 1.00 1.41 O ATOM 299 OE2 GLU A 18 -19.843 1.286 -5.520 1.00 22.33 O ATOM 0 H GLU A 18 -14.704 0.315 -6.635 1.00 10.34 H new ATOM 0 HA GLU A 18 -16.118 2.307 -5.137 1.00 13.31 H new ATOM 0 HB2 GLU A 18 -16.812 0.044 -6.164 1.00 71.41 H new ATOM 0 HB3 GLU A 18 -16.096 -0.663 -4.730 1.00 71.41 H new ATOM 0 HG2 GLU A 18 -17.943 -0.247 -3.522 1.00 3.22 H new ATOM 0 HG3 GLU A 18 -17.890 1.459 -3.921 1.00 3.22 H new ATOM 306 N ASP A 19 -13.634 0.734 -3.615 1.00 63.52 N ATOM 307 CA ASP A 19 -12.760 0.763 -2.438 1.00 22.14 C ATOM 308 C ASP A 19 -12.039 2.119 -2.368 1.00 12.23 C ATOM 309 O ASP A 19 -11.950 2.730 -1.302 1.00 14.12 O ATOM 310 CB ASP A 19 -11.597 -0.262 -2.517 1.00 42.32 C ATOM 311 CG ASP A 19 -11.692 -1.670 -1.948 1.00 50.03 C ATOM 312 OD1 ASP A 19 -12.686 -2.092 -1.331 1.00 61.52 O ATOM 313 OD2 ASP A 19 -10.684 -2.399 -2.163 1.00 44.13 O ATOM 0 H ASP A 19 -13.329 0.068 -4.325 1.00 63.52 H new ATOM 0 HA ASP A 19 -13.412 0.551 -1.591 1.00 22.14 H new ATOM 0 HB2 ASP A 19 -11.353 -0.371 -3.574 1.00 42.32 H new ATOM 0 HB3 ASP A 19 -10.738 0.208 -2.038 1.00 42.32 H new ATOM 318 N VAL A 20 -11.430 2.574 -3.475 1.00 3.14 N ATOM 319 CA VAL A 20 -10.692 3.841 -3.468 1.00 41.23 C ATOM 320 C VAL A 20 -11.602 5.030 -3.210 1.00 13.43 C ATOM 321 O VAL A 20 -11.291 5.838 -2.331 1.00 34.42 O ATOM 322 CB VAL A 20 -9.754 4.035 -4.683 1.00 70.21 C ATOM 323 CG1 VAL A 20 -10.296 3.628 -6.034 1.00 14.41 C ATOM 324 CG2 VAL A 20 -9.233 5.469 -4.809 1.00 5.21 C ATOM 0 H VAL A 20 -11.435 2.089 -4.373 1.00 3.14 H new ATOM 0 HA VAL A 20 -10.012 3.781 -2.618 1.00 41.23 H new ATOM 0 HB VAL A 20 -8.952 3.339 -4.438 1.00 70.21 H new ATOM 0 HG11 VAL A 20 -9.543 3.814 -6.799 1.00 14.41 H new ATOM 0 HG12 VAL A 20 -10.546 2.567 -6.021 1.00 14.41 H new ATOM 0 HG13 VAL A 20 -11.191 4.209 -6.257 1.00 14.41 H new ATOM 0 HG21 VAL A 20 -8.581 5.544 -5.679 1.00 5.21 H new ATOM 0 HG22 VAL A 20 -10.074 6.153 -4.926 1.00 5.21 H new ATOM 0 HG23 VAL A 20 -8.673 5.733 -3.912 1.00 5.21 H new ATOM 334 N ARG A 21 -12.704 5.170 -3.948 1.00 22.51 N ATOM 335 CA ARG A 21 -13.608 6.300 -3.755 1.00 34.42 C ATOM 336 C ARG A 21 -14.163 6.288 -2.325 1.00 10.12 C ATOM 337 O ARG A 21 -14.295 7.363 -1.730 1.00 72.34 O ATOM 338 CB ARG A 21 -14.669 6.305 -4.872 1.00 23.41 C ATOM 339 CG ARG A 21 -15.681 5.170 -4.731 1.00 3.13 C ATOM 340 CD ARG A 21 -16.946 5.645 -4.001 1.00 14.12 C ATOM 341 NE ARG A 21 -17.999 5.890 -4.991 1.00 24.40 N ATOM 342 CZ ARG A 21 -18.679 4.910 -5.589 1.00 33.42 C ATOM 343 NH1 ARG A 21 -18.669 3.695 -5.060 1.00 31.32 N ATOM 344 NH2 ARG A 21 -19.319 5.137 -6.723 1.00 30.42 N ATOM 0 H ARG A 21 -12.989 4.519 -4.680 1.00 22.51 H new ATOM 0 HA ARG A 21 -13.082 7.250 -3.846 1.00 34.42 H new ATOM 0 HB2 ARG A 21 -15.196 7.259 -4.862 1.00 23.41 H new ATOM 0 HB3 ARG A 21 -14.172 6.225 -5.839 1.00 23.41 H new ATOM 0 HG2 ARG A 21 -15.947 4.791 -5.718 1.00 3.13 H new ATOM 0 HG3 ARG A 21 -15.230 4.343 -4.183 1.00 3.13 H new ATOM 0 HD2 ARG A 21 -17.272 4.893 -3.282 1.00 14.12 H new ATOM 0 HD3 ARG A 21 -16.738 6.555 -3.438 1.00 14.12 H new ATOM 0 HE ARG A 21 -18.222 6.855 -5.234 1.00 24.40 H new ATOM 0 HH11 ARG A 21 -18.145 3.516 -4.204 1.00 31.32 H new ATOM 0 HH12 ARG A 21 -19.186 2.939 -5.509 1.00 31.32 H new ATOM 0 HH21 ARG A 21 -19.295 6.065 -7.145 1.00 30.42 H new ATOM 0 HH22 ARG A 21 -19.837 4.384 -7.176 1.00 30.42 H new ATOM 358 N LEU A 22 -14.458 5.107 -1.758 1.00 73.12 N ATOM 359 CA LEU A 22 -14.966 4.972 -0.394 1.00 62.42 C ATOM 360 C LEU A 22 -13.941 5.604 0.536 1.00 4.10 C ATOM 361 O LEU A 22 -14.271 6.504 1.307 1.00 43.33 O ATOM 362 CB LEU A 22 -15.210 3.490 -0.046 1.00 2.40 C ATOM 363 CG LEU A 22 -15.478 3.224 1.448 1.00 62.52 C ATOM 364 CD1 LEU A 22 -16.653 4.064 1.957 1.00 3.23 C ATOM 365 CD2 LEU A 22 -15.769 1.738 1.658 1.00 13.34 C ATOM 0 H LEU A 22 -14.348 4.216 -2.242 1.00 73.12 H new ATOM 0 HA LEU A 22 -15.926 5.477 -0.287 1.00 62.42 H new ATOM 0 HB2 LEU A 22 -16.060 3.128 -0.625 1.00 2.40 H new ATOM 0 HB3 LEU A 22 -14.342 2.909 -0.356 1.00 2.40 H new ATOM 0 HG LEU A 22 -14.591 3.508 2.014 1.00 62.52 H new ATOM 0 HD11 LEU A 22 -16.819 3.855 3.014 1.00 3.23 H new ATOM 0 HD12 LEU A 22 -16.427 5.122 1.827 1.00 3.23 H new ATOM 0 HD13 LEU A 22 -17.551 3.813 1.393 1.00 3.23 H new ATOM 0 HD21 LEU A 22 -15.958 1.550 2.715 1.00 13.34 H new ATOM 0 HD22 LEU A 22 -16.645 1.453 1.076 1.00 13.34 H new ATOM 0 HD23 LEU A 22 -14.911 1.150 1.333 1.00 13.34 H new ATOM 377 N ILE A 23 -12.684 5.167 0.442 1.00 54.15 N ATOM 378 CA ILE A 23 -11.604 5.699 1.255 1.00 74.42 C ATOM 379 C ILE A 23 -11.468 7.207 1.031 1.00 32.41 C ATOM 380 O ILE A 23 -11.316 7.940 2.003 1.00 74.21 O ATOM 381 CB ILE A 23 -10.320 4.901 0.969 1.00 32.11 C ATOM 382 CG1 ILE A 23 -10.368 3.508 1.630 1.00 2.32 C ATOM 383 CG2 ILE A 23 -9.044 5.633 1.396 1.00 3.10 C ATOM 384 CD1 ILE A 23 -10.537 3.465 3.155 1.00 21.23 C ATOM 0 H ILE A 23 -12.392 4.433 -0.203 1.00 54.15 H new ATOM 0 HA ILE A 23 -11.818 5.579 2.317 1.00 74.42 H new ATOM 0 HB ILE A 23 -10.280 4.788 -0.114 1.00 32.11 H new ATOM 0 HG12 ILE A 23 -11.190 2.949 1.182 1.00 2.32 H new ATOM 0 HG13 ILE A 23 -9.448 2.981 1.376 1.00 2.32 H new ATOM 0 HG21 ILE A 23 -8.176 5.015 1.166 1.00 3.10 H new ATOM 0 HG22 ILE A 23 -8.969 6.578 0.858 1.00 3.10 H new ATOM 0 HG23 ILE A 23 -9.077 5.827 2.468 1.00 3.10 H new ATOM 0 HD11 ILE A 23 -10.555 2.428 3.490 1.00 21.23 H new ATOM 0 HD12 ILE A 23 -9.704 3.985 3.628 1.00 21.23 H new ATOM 0 HD13 ILE A 23 -11.472 3.952 3.431 1.00 21.23 H new ATOM 396 N ARG A 24 -11.537 7.698 -0.209 1.00 32.40 N ATOM 397 CA ARG A 24 -11.431 9.129 -0.501 1.00 51.15 C ATOM 398 C ARG A 24 -12.570 9.908 0.158 1.00 72.51 C ATOM 399 O ARG A 24 -12.406 11.100 0.421 1.00 20.42 O ATOM 400 CB ARG A 24 -11.412 9.351 -2.021 1.00 53.24 C ATOM 401 CG ARG A 24 -10.164 8.766 -2.708 1.00 2.12 C ATOM 402 CD ARG A 24 -9.220 9.817 -3.312 1.00 62.14 C ATOM 403 NE ARG A 24 -8.194 10.284 -2.357 1.00 73.34 N ATOM 404 CZ ARG A 24 -7.320 11.282 -2.563 1.00 22.11 C ATOM 405 NH1 ARG A 24 -7.341 11.998 -3.685 1.00 75.54 N ATOM 406 NH2 ARG A 24 -6.380 11.528 -1.657 1.00 41.13 N ATOM 0 H ARG A 24 -11.668 7.116 -1.037 1.00 32.40 H new ATOM 0 HA ARG A 24 -10.496 9.504 -0.084 1.00 51.15 H new ATOM 0 HB2 ARG A 24 -12.303 8.900 -2.458 1.00 53.24 H new ATOM 0 HB3 ARG A 24 -11.463 10.420 -2.225 1.00 53.24 H new ATOM 0 HG2 ARG A 24 -9.609 8.172 -1.982 1.00 2.12 H new ATOM 0 HG3 ARG A 24 -10.484 8.086 -3.498 1.00 2.12 H new ATOM 0 HD2 ARG A 24 -8.728 9.395 -4.189 1.00 62.14 H new ATOM 0 HD3 ARG A 24 -9.806 10.670 -3.654 1.00 62.14 H new ATOM 0 HE ARG A 24 -8.145 9.804 -1.458 1.00 73.34 H new ATOM 0 HH11 ARG A 24 -8.030 11.793 -4.408 1.00 75.54 H new ATOM 0 HH12 ARG A 24 -6.668 12.752 -3.821 1.00 75.54 H new ATOM 0 HH21 ARG A 24 -6.326 10.960 -0.811 1.00 41.13 H new ATOM 0 HH22 ARG A 24 -5.713 12.285 -1.807 1.00 41.13 H new ATOM 420 N GLU A 25 -13.715 9.270 0.415 1.00 3.32 N ATOM 421 CA GLU A 25 -14.850 9.910 1.064 1.00 55.45 C ATOM 422 C GLU A 25 -14.632 10.022 2.570 1.00 74.34 C ATOM 423 O GLU A 25 -14.628 11.133 3.094 1.00 73.11 O ATOM 424 CB GLU A 25 -16.144 9.133 0.783 1.00 34.42 C ATOM 425 CG GLU A 25 -17.399 9.978 1.048 1.00 51.32 C ATOM 426 CD GLU A 25 -17.698 10.272 2.520 1.00 42.44 C ATOM 427 OE1 GLU A 25 -17.588 9.371 3.371 1.00 15.22 O ATOM 428 OE2 GLU A 25 -18.098 11.425 2.822 1.00 54.21 O ATOM 0 H GLU A 25 -13.876 8.292 0.176 1.00 3.32 H new ATOM 0 HA GLU A 25 -14.942 10.915 0.651 1.00 55.45 H new ATOM 0 HB2 GLU A 25 -16.146 8.798 -0.254 1.00 34.42 H new ATOM 0 HB3 GLU A 25 -16.172 8.239 1.407 1.00 34.42 H new ATOM 0 HG2 GLU A 25 -17.295 10.926 0.520 1.00 51.32 H new ATOM 0 HG3 GLU A 25 -18.259 9.465 0.616 1.00 51.32 H new ATOM 435 N GLN A 26 -14.404 8.893 3.249 1.00 42.14 N ATOM 436 CA GLN A 26 -14.217 8.859 4.699 1.00 24.41 C ATOM 437 C GLN A 26 -12.883 9.438 5.159 1.00 20.52 C ATOM 438 O GLN A 26 -12.783 9.973 6.271 1.00 2.12 O ATOM 439 CB GLN A 26 -14.414 7.426 5.217 1.00 72.15 C ATOM 440 CG GLN A 26 -13.434 6.383 4.671 1.00 50.35 C ATOM 441 CD GLN A 26 -13.791 4.978 5.150 1.00 65.51 C ATOM 442 OE1 GLN A 26 -14.910 4.434 4.704 1.00 34.53 O flip ATOM 443 NE2 GLN A 26 -13.075 4.382 5.947 1.00 54.25 N flip ATOM 0 H GLN A 26 -14.344 7.976 2.806 1.00 42.14 H new ATOM 0 HA GLN A 26 -14.977 9.510 5.132 1.00 24.41 H new ATOM 0 HB2 GLN A 26 -14.335 7.438 6.304 1.00 72.15 H new ATOM 0 HB3 GLN A 26 -15.428 7.107 4.974 1.00 72.15 H new ATOM 0 HG2 GLN A 26 -13.441 6.410 3.581 1.00 50.35 H new ATOM 0 HG3 GLN A 26 -12.422 6.631 4.989 1.00 50.35 H new ATOM 0 HE21 GLN A 26 -12.214 4.815 6.282 1.00 54.25 H new ATOM 0 HE22 GLN A 26 -13.340 3.453 6.275 1.00 54.25 H new ATOM 452 N HIS A 27 -11.861 9.356 4.310 1.00 14.42 N ATOM 453 CA HIS A 27 -10.520 9.842 4.563 1.00 14.32 C ATOM 454 C HIS A 27 -10.081 10.737 3.402 1.00 64.15 C ATOM 455 O HIS A 27 -9.189 10.371 2.633 1.00 53.44 O ATOM 456 CB HIS A 27 -9.579 8.662 4.839 1.00 64.51 C ATOM 457 CG HIS A 27 -9.981 7.869 6.053 1.00 22.52 C ATOM 458 ND1 HIS A 27 -10.374 8.413 7.252 1.00 1.14 N ATOM 459 CD2 HIS A 27 -10.188 6.517 6.118 1.00 53.15 C ATOM 460 CE1 HIS A 27 -10.853 7.413 8.007 1.00 1.21 C ATOM 461 NE2 HIS A 27 -10.735 6.239 7.371 1.00 14.02 N ATOM 0 H HIS A 27 -11.956 8.929 3.389 1.00 14.42 H new ATOM 0 HA HIS A 27 -10.490 10.461 5.460 1.00 14.32 H new ATOM 0 HB2 HIS A 27 -9.563 8.005 3.970 1.00 64.51 H new ATOM 0 HB3 HIS A 27 -8.564 9.036 4.974 1.00 64.51 H new ATOM 0 HD1 HIS A 27 -10.313 9.396 7.519 1.00 1.14 H new ATOM 0 HD2 HIS A 27 -9.968 5.798 5.342 1.00 53.15 H new ATOM 0 HE1 HIS A 27 -11.276 7.537 8.993 1.00 1.21 H new ATOM 469 N PRO A 28 -10.664 11.944 3.275 1.00 74.43 N ATOM 470 CA PRO A 28 -10.336 12.883 2.209 1.00 61.11 C ATOM 471 C PRO A 28 -8.969 13.540 2.421 1.00 15.42 C ATOM 472 O PRO A 28 -8.552 14.389 1.630 1.00 12.02 O ATOM 473 CB PRO A 28 -11.474 13.905 2.198 1.00 14.43 C ATOM 474 CG PRO A 28 -11.939 13.930 3.648 1.00 60.51 C ATOM 475 CD PRO A 28 -11.704 12.501 4.126 1.00 11.10 C ATOM 0 HA PRO A 28 -10.251 12.378 1.247 1.00 61.11 H new ATOM 0 HB2 PRO A 28 -11.130 14.886 1.869 1.00 14.43 H new ATOM 0 HB3 PRO A 28 -12.276 13.606 1.524 1.00 14.43 H new ATOM 0 HG2 PRO A 28 -11.371 14.649 4.239 1.00 60.51 H new ATOM 0 HG3 PRO A 28 -12.989 14.211 3.727 1.00 60.51 H new ATOM 0 HD2 PRO A 28 -11.397 12.488 5.172 1.00 11.10 H new ATOM 0 HD3 PRO A 28 -12.619 11.913 4.055 1.00 11.10 H new ATOM 483 N THR A 29 -8.286 13.181 3.505 1.00 12.40 N ATOM 484 CA THR A 29 -6.981 13.663 3.897 1.00 21.21 C ATOM 485 C THR A 29 -5.925 12.552 3.751 1.00 73.44 C ATOM 486 O THR A 29 -4.776 12.732 4.180 1.00 74.41 O ATOM 487 CB THR A 29 -7.089 14.206 5.331 1.00 15.24 C ATOM 488 OG1 THR A 29 -7.486 13.207 6.257 1.00 12.32 O ATOM 489 CG2 THR A 29 -8.127 15.329 5.451 1.00 43.01 C ATOM 0 H THR A 29 -8.660 12.503 4.169 1.00 12.40 H new ATOM 0 HA THR A 29 -6.650 14.471 3.244 1.00 21.21 H new ATOM 0 HB THR A 29 -6.088 14.573 5.559 1.00 15.24 H new ATOM 0 HG1 THR A 29 -7.540 13.596 7.155 1.00 12.32 H new ATOM 0 HG21 THR A 29 -8.166 15.679 6.482 1.00 43.01 H new ATOM 0 HG22 THR A 29 -7.846 16.155 4.798 1.00 43.01 H new ATOM 0 HG23 THR A 29 -9.107 14.952 5.158 1.00 43.01 H new ATOM 497 N LYS A 30 -6.289 11.383 3.193 1.00 24.43 N ATOM 498 CA LYS A 30 -5.378 10.270 3.031 1.00 33.14 C ATOM 499 C LYS A 30 -5.296 9.839 1.575 1.00 71.24 C ATOM 500 O LYS A 30 -6.206 10.050 0.770 1.00 2.42 O ATOM 501 CB LYS A 30 -5.845 9.119 3.925 1.00 43.13 C ATOM 502 CG LYS A 30 -5.957 9.392 5.432 1.00 73.42 C ATOM 503 CD LYS A 30 -4.580 9.645 6.047 1.00 11.04 C ATOM 504 CE LYS A 30 -4.202 8.674 7.162 1.00 23.12 C ATOM 505 NZ LYS A 30 -5.021 8.865 8.368 1.00 73.44 N ATOM 0 H LYS A 30 -7.230 11.198 2.845 1.00 24.43 H new ATOM 0 HA LYS A 30 -4.374 10.574 3.329 1.00 33.14 H new ATOM 0 HB2 LYS A 30 -6.822 8.792 3.569 1.00 43.13 H new ATOM 0 HB3 LYS A 30 -5.158 8.284 3.785 1.00 43.13 H new ATOM 0 HG2 LYS A 30 -6.599 10.256 5.602 1.00 73.42 H new ATOM 0 HG3 LYS A 30 -6.429 8.542 5.925 1.00 73.42 H new ATOM 0 HD2 LYS A 30 -3.828 9.587 5.260 1.00 11.04 H new ATOM 0 HD3 LYS A 30 -4.552 10.661 6.441 1.00 11.04 H new ATOM 0 HE2 LYS A 30 -4.318 7.651 6.805 1.00 23.12 H new ATOM 0 HE3 LYS A 30 -3.150 8.806 7.415 1.00 23.12 H new ATOM 0 HZ1 LYS A 30 -4.412 9.156 9.159 1.00 73.44 H new ATOM 0 HZ2 LYS A 30 -5.734 9.601 8.191 1.00 73.44 H new ATOM 0 HZ3 LYS A 30 -5.498 7.973 8.609 1.00 73.44 H new ATOM 519 N ILE A 31 -4.203 9.155 1.266 1.00 52.42 N ATOM 520 CA ILE A 31 -3.843 8.633 -0.031 1.00 51.54 C ATOM 521 C ILE A 31 -4.057 7.110 -0.017 1.00 5.23 C ATOM 522 O ILE A 31 -3.434 6.421 0.803 1.00 53.22 O ATOM 523 CB ILE A 31 -2.389 9.031 -0.369 1.00 50.12 C ATOM 524 CG1 ILE A 31 -2.254 10.576 -0.346 1.00 74.32 C ATOM 525 CG2 ILE A 31 -1.991 8.413 -1.727 1.00 25.32 C ATOM 526 CD1 ILE A 31 -0.850 11.053 -0.673 1.00 20.14 C ATOM 0 H ILE A 31 -3.499 8.939 1.971 1.00 52.42 H new ATOM 0 HA ILE A 31 -4.472 9.055 -0.815 1.00 51.54 H new ATOM 0 HB ILE A 31 -1.699 8.640 0.378 1.00 50.12 H new ATOM 0 HG12 ILE A 31 -2.954 11.007 -1.061 1.00 74.32 H new ATOM 0 HG13 ILE A 31 -2.537 10.945 0.640 1.00 74.32 H new ATOM 0 HG21 ILE A 31 -0.965 8.693 -1.967 1.00 25.32 H new ATOM 0 HG22 ILE A 31 -2.067 7.327 -1.669 1.00 25.32 H new ATOM 0 HG23 ILE A 31 -2.659 8.782 -2.505 1.00 25.32 H new ATOM 0 HD11 ILE A 31 -0.819 12.142 -0.641 1.00 20.14 H new ATOM 0 HD12 ILE A 31 -0.149 10.648 0.057 1.00 20.14 H new ATOM 0 HD13 ILE A 31 -0.573 10.711 -1.670 1.00 20.14 H new ATOM 538 N PRO A 32 -4.940 6.587 -0.889 1.00 23.02 N ATOM 539 CA PRO A 32 -5.241 5.168 -1.027 1.00 62.43 C ATOM 540 C PRO A 32 -4.112 4.505 -1.837 1.00 25.02 C ATOM 541 O PRO A 32 -3.956 4.748 -3.044 1.00 30.22 O ATOM 542 CB PRO A 32 -6.600 5.117 -1.733 1.00 61.13 C ATOM 543 CG PRO A 32 -6.683 6.422 -2.526 1.00 41.23 C ATOM 544 CD PRO A 32 -5.703 7.364 -1.854 1.00 50.42 C ATOM 0 HA PRO A 32 -5.297 4.628 -0.082 1.00 62.43 H new ATOM 0 HB2 PRO A 32 -6.671 4.250 -2.390 1.00 61.13 H new ATOM 0 HB3 PRO A 32 -7.416 5.039 -1.014 1.00 61.13 H new ATOM 0 HG2 PRO A 32 -6.421 6.263 -3.572 1.00 41.23 H new ATOM 0 HG3 PRO A 32 -7.694 6.829 -2.509 1.00 41.23 H new ATOM 0 HD2 PRO A 32 -5.040 7.817 -2.591 1.00 50.42 H new ATOM 0 HD3 PRO A 32 -6.232 8.178 -1.358 1.00 50.42 H new ATOM 552 N VAL A 33 -3.325 3.641 -1.193 1.00 1.34 N ATOM 553 CA VAL A 33 -2.199 2.972 -1.839 1.00 2.42 C ATOM 554 C VAL A 33 -2.262 1.451 -1.647 1.00 64.45 C ATOM 555 O VAL A 33 -2.803 0.954 -0.660 1.00 34.04 O ATOM 556 CB VAL A 33 -0.901 3.655 -1.333 1.00 72.11 C ATOM 557 CG1 VAL A 33 -0.804 3.645 0.196 1.00 22.01 C ATOM 558 CG2 VAL A 33 0.400 3.088 -1.917 1.00 54.32 C ATOM 0 H VAL A 33 -3.451 3.387 -0.213 1.00 1.34 H new ATOM 0 HA VAL A 33 -2.229 3.085 -2.923 1.00 2.42 H new ATOM 0 HB VAL A 33 -0.994 4.678 -1.698 1.00 72.11 H new ATOM 0 HG11 VAL A 33 0.120 4.133 0.505 1.00 22.01 H new ATOM 0 HG12 VAL A 33 -1.655 4.179 0.618 1.00 22.01 H new ATOM 0 HG13 VAL A 33 -0.808 2.616 0.554 1.00 22.01 H new ATOM 0 HG21 VAL A 33 1.251 3.630 -1.504 1.00 54.32 H new ATOM 0 HG22 VAL A 33 0.483 2.032 -1.662 1.00 54.32 H new ATOM 0 HG23 VAL A 33 0.391 3.200 -3.001 1.00 54.32 H new ATOM 568 N ILE A 34 -1.732 0.713 -2.623 1.00 31.00 N ATOM 569 CA ILE A 34 -1.651 -0.735 -2.668 1.00 53.25 C ATOM 570 C ILE A 34 -0.160 -1.056 -2.672 1.00 34.31 C ATOM 571 O ILE A 34 0.554 -0.636 -3.584 1.00 5.14 O ATOM 572 CB ILE A 34 -2.302 -1.310 -3.945 1.00 2.13 C ATOM 573 CG1 ILE A 34 -3.696 -0.780 -4.327 1.00 12.12 C ATOM 574 CG2 ILE A 34 -2.336 -2.837 -3.814 1.00 43.31 C ATOM 575 CD1 ILE A 34 -4.800 -1.059 -3.308 1.00 65.15 C ATOM 0 H ILE A 34 -1.324 1.144 -3.452 1.00 31.00 H new ATOM 0 HA ILE A 34 -2.181 -1.175 -1.823 1.00 53.25 H new ATOM 0 HB ILE A 34 -1.675 -0.964 -4.767 1.00 2.13 H new ATOM 0 HG12 ILE A 34 -3.628 0.297 -4.480 1.00 12.12 H new ATOM 0 HG13 ILE A 34 -3.985 -1.220 -5.282 1.00 12.12 H new ATOM 0 HG21 ILE A 34 -2.792 -3.269 -4.705 1.00 43.31 H new ATOM 0 HG22 ILE A 34 -1.320 -3.216 -3.707 1.00 43.31 H new ATOM 0 HG23 ILE A 34 -2.921 -3.114 -2.937 1.00 43.31 H new ATOM 0 HD11 ILE A 34 -5.742 -0.646 -3.670 1.00 65.15 H new ATOM 0 HD12 ILE A 34 -4.905 -2.135 -3.170 1.00 65.15 H new ATOM 0 HD13 ILE A 34 -4.542 -0.595 -2.356 1.00 65.15 H new ATOM 587 N ILE A 35 0.315 -1.816 -1.694 1.00 4.31 N ATOM 588 CA ILE A 35 1.705 -2.207 -1.563 1.00 31.03 C ATOM 589 C ILE A 35 1.734 -3.725 -1.518 1.00 61.22 C ATOM 590 O ILE A 35 0.958 -4.323 -0.769 1.00 64.31 O ATOM 591 CB ILE A 35 2.362 -1.582 -0.318 1.00 43.34 C ATOM 592 CG1 ILE A 35 2.162 -0.056 -0.223 1.00 53.52 C ATOM 593 CG2 ILE A 35 3.866 -1.899 -0.338 1.00 10.40 C ATOM 594 CD1 ILE A 35 0.938 0.295 0.613 1.00 50.22 C ATOM 0 H ILE A 35 -0.277 -2.186 -0.950 1.00 4.31 H new ATOM 0 HA ILE A 35 2.286 -1.840 -2.409 1.00 31.03 H new ATOM 0 HB ILE A 35 1.876 -2.016 0.556 1.00 43.34 H new ATOM 0 HG12 ILE A 35 3.048 0.402 0.217 1.00 53.52 H new ATOM 0 HG13 ILE A 35 2.052 0.361 -1.224 1.00 53.52 H new ATOM 0 HG21 ILE A 35 4.342 -1.461 0.539 1.00 10.40 H new ATOM 0 HG22 ILE A 35 4.010 -2.979 -0.328 1.00 10.40 H new ATOM 0 HG23 ILE A 35 4.314 -1.482 -1.240 1.00 10.40 H new ATOM 0 HD11 ILE A 35 0.827 1.378 0.659 1.00 50.22 H new ATOM 0 HD12 ILE A 35 0.049 -0.142 0.158 1.00 50.22 H new ATOM 0 HD13 ILE A 35 1.061 -0.100 1.621 1.00 50.22 H new ATOM 606 N GLU A 36 2.625 -4.354 -2.283 1.00 21.30 N ATOM 607 CA GLU A 36 2.733 -5.809 -2.295 1.00 62.23 C ATOM 608 C GLU A 36 4.199 -6.265 -2.246 1.00 22.42 C ATOM 609 O GLU A 36 5.123 -5.513 -2.568 1.00 70.25 O ATOM 610 CB GLU A 36 1.954 -6.312 -3.522 1.00 64.21 C ATOM 611 CG GLU A 36 1.828 -7.832 -3.643 1.00 3.14 C ATOM 612 CD GLU A 36 1.208 -8.508 -2.415 1.00 54.54 C ATOM 613 OE1 GLU A 36 1.914 -8.687 -1.394 1.00 65.21 O ATOM 614 OE2 GLU A 36 0.080 -9.032 -2.554 1.00 12.40 O ATOM 0 H GLU A 36 3.281 -3.878 -2.902 1.00 21.30 H new ATOM 0 HA GLU A 36 2.292 -6.250 -1.401 1.00 62.23 H new ATOM 0 HB2 GLU A 36 0.952 -5.883 -3.496 1.00 64.21 H new ATOM 0 HB3 GLU A 36 2.441 -5.932 -4.420 1.00 64.21 H new ATOM 0 HG2 GLU A 36 1.223 -8.067 -4.518 1.00 3.14 H new ATOM 0 HG3 GLU A 36 2.817 -8.255 -3.817 1.00 3.14 H new ATOM 621 N ARG A 37 4.438 -7.493 -1.787 1.00 64.43 N ATOM 622 CA ARG A 37 5.763 -8.067 -1.706 1.00 50.11 C ATOM 623 C ARG A 37 6.157 -8.450 -3.121 1.00 64.43 C ATOM 624 O ARG A 37 5.330 -9.020 -3.851 1.00 32.01 O ATOM 625 CB ARG A 37 5.713 -9.306 -0.804 1.00 32.30 C ATOM 626 CG ARG A 37 7.133 -9.791 -0.470 1.00 64.34 C ATOM 627 CD ARG A 37 7.200 -11.266 -0.072 1.00 13.12 C ATOM 628 NE ARG A 37 6.568 -12.098 -1.100 1.00 21.41 N ATOM 629 CZ ARG A 37 6.611 -13.433 -1.191 1.00 10.52 C ATOM 630 NH1 ARG A 37 7.280 -14.147 -0.289 1.00 5.44 N ATOM 631 NH2 ARG A 37 5.957 -14.019 -2.184 1.00 63.24 N ATOM 0 H ARG A 37 3.701 -8.118 -1.459 1.00 64.43 H new ATOM 0 HA ARG A 37 6.488 -7.370 -1.286 1.00 50.11 H new ATOM 0 HB2 ARG A 37 5.178 -9.071 0.116 1.00 32.30 H new ATOM 0 HB3 ARG A 37 5.159 -10.102 -1.301 1.00 32.30 H new ATOM 0 HG2 ARG A 37 7.776 -9.627 -1.335 1.00 64.34 H new ATOM 0 HG3 ARG A 37 7.532 -9.186 0.344 1.00 64.34 H new ATOM 0 HD2 ARG A 37 8.239 -11.567 0.061 1.00 13.12 H new ATOM 0 HD3 ARG A 37 6.700 -11.415 0.885 1.00 13.12 H new ATOM 0 HE ARG A 37 6.040 -11.608 -1.822 1.00 21.41 H new ATOM 0 HH11 ARG A 37 7.763 -13.677 0.477 1.00 5.44 H new ATOM 0 HH12 ARG A 37 7.309 -15.164 -0.363 1.00 5.44 H new ATOM 0 HH21 ARG A 37 5.437 -13.454 -2.856 1.00 63.24 H new ATOM 0 HH22 ARG A 37 5.973 -15.035 -2.276 1.00 63.24 H new ATOM 645 N TYR A 38 7.391 -8.154 -3.524 1.00 50.52 N ATOM 646 CA TYR A 38 7.841 -8.527 -4.850 1.00 62.44 C ATOM 647 C TYR A 38 7.684 -10.043 -4.976 1.00 23.21 C ATOM 648 O TYR A 38 8.072 -10.769 -4.064 1.00 23.13 O ATOM 649 CB TYR A 38 9.283 -8.084 -5.069 1.00 65.45 C ATOM 650 CG TYR A 38 9.892 -8.531 -6.383 1.00 70.32 C ATOM 651 CD1 TYR A 38 9.190 -8.360 -7.592 1.00 14.22 C ATOM 652 CD2 TYR A 38 11.182 -9.095 -6.398 1.00 22.00 C ATOM 653 CE1 TYR A 38 9.799 -8.689 -8.812 1.00 32.43 C ATOM 654 CE2 TYR A 38 11.791 -9.441 -7.616 1.00 50.53 C ATOM 655 CZ TYR A 38 11.109 -9.213 -8.830 1.00 65.04 C ATOM 656 OH TYR A 38 11.691 -9.500 -10.024 1.00 52.15 O ATOM 0 H TYR A 38 8.083 -7.664 -2.957 1.00 50.52 H new ATOM 0 HA TYR A 38 7.247 -8.033 -5.618 1.00 62.44 H new ATOM 0 HB2 TYR A 38 9.326 -6.996 -5.016 1.00 65.45 H new ATOM 0 HB3 TYR A 38 9.894 -8.468 -4.252 1.00 65.45 H new ATOM 0 HD1 TYR A 38 8.181 -7.975 -7.580 1.00 14.22 H new ATOM 0 HD2 TYR A 38 11.706 -9.262 -5.469 1.00 22.00 H new ATOM 0 HE1 TYR A 38 9.265 -8.541 -9.739 1.00 32.43 H new ATOM 0 HE2 TYR A 38 12.778 -9.880 -7.623 1.00 50.53 H new ATOM 0 HH TYR A 38 12.593 -9.852 -9.872 1.00 52.15 H new ATOM 666 N LYS A 39 7.171 -10.541 -6.102 1.00 14.12 N ATOM 667 CA LYS A 39 6.969 -11.974 -6.313 1.00 63.03 C ATOM 668 C LYS A 39 8.247 -12.789 -6.088 1.00 71.41 C ATOM 669 O LYS A 39 8.165 -13.924 -5.613 1.00 53.41 O ATOM 670 CB LYS A 39 6.335 -12.228 -7.696 1.00 2.20 C ATOM 671 CG LYS A 39 7.325 -12.059 -8.862 1.00 22.20 C ATOM 672 CD LYS A 39 6.695 -12.312 -10.237 1.00 51.23 C ATOM 673 CE LYS A 39 5.950 -11.110 -10.828 1.00 54.41 C ATOM 674 NZ LYS A 39 6.864 -10.074 -11.357 1.00 5.11 N ATOM 0 H LYS A 39 6.884 -9.963 -6.892 1.00 14.12 H new ATOM 0 HA LYS A 39 6.268 -12.328 -5.557 1.00 63.03 H new ATOM 0 HB2 LYS A 39 5.926 -13.238 -7.720 1.00 2.20 H new ATOM 0 HB3 LYS A 39 5.500 -11.542 -7.836 1.00 2.20 H new ATOM 0 HG2 LYS A 39 7.734 -11.049 -8.838 1.00 22.20 H new ATOM 0 HG3 LYS A 39 8.161 -12.745 -8.722 1.00 22.20 H new ATOM 0 HD2 LYS A 39 7.479 -12.614 -10.931 1.00 51.23 H new ATOM 0 HD3 LYS A 39 6.001 -13.149 -10.156 1.00 51.23 H new ATOM 0 HE2 LYS A 39 5.294 -11.452 -11.628 1.00 54.41 H new ATOM 0 HE3 LYS A 39 5.314 -10.669 -10.061 1.00 54.41 H new ATOM 0 HZ1 LYS A 39 6.308 -9.285 -11.744 1.00 5.11 H new ATOM 0 HZ2 LYS A 39 7.473 -9.724 -10.590 1.00 5.11 H new ATOM 0 HZ3 LYS A 39 7.454 -10.483 -12.109 1.00 5.11 H new ATOM 688 N GLY A 40 9.415 -12.211 -6.383 1.00 61.42 N ATOM 689 CA GLY A 40 10.697 -12.874 -6.224 1.00 13.51 C ATOM 690 C GLY A 40 11.294 -12.738 -4.821 1.00 1.10 C ATOM 691 O GLY A 40 12.334 -13.345 -4.563 1.00 42.12 O ATOM 0 H GLY A 40 9.490 -11.259 -6.742 1.00 61.42 H new ATOM 0 HA2 GLY A 40 10.580 -13.932 -6.458 1.00 13.51 H new ATOM 0 HA3 GLY A 40 11.400 -12.464 -6.949 1.00 13.51 H new ATOM 695 N GLU A 41 10.709 -11.925 -3.934 1.00 63.41 N ATOM 696 CA GLU A 41 11.178 -11.701 -2.573 1.00 25.20 C ATOM 697 C GLU A 41 11.039 -13.007 -1.799 1.00 3.52 C ATOM 698 O GLU A 41 9.961 -13.605 -1.764 1.00 21.13 O ATOM 699 CB GLU A 41 10.353 -10.567 -1.968 1.00 51.22 C ATOM 700 CG GLU A 41 10.816 -10.093 -0.592 1.00 64.23 C ATOM 701 CD GLU A 41 12.336 -10.034 -0.464 1.00 24.41 C ATOM 702 OE1 GLU A 41 12.968 -9.045 -0.879 1.00 14.21 O ATOM 703 OE2 GLU A 41 12.915 -11.028 0.014 1.00 14.14 O ATOM 0 H GLU A 41 9.869 -11.390 -4.157 1.00 63.41 H new ATOM 0 HA GLU A 41 12.227 -11.406 -2.540 1.00 25.20 H new ATOM 0 HB2 GLU A 41 10.372 -9.719 -2.653 1.00 51.22 H new ATOM 0 HB3 GLU A 41 9.316 -10.893 -1.893 1.00 51.22 H new ATOM 0 HG2 GLU A 41 10.401 -9.104 -0.395 1.00 64.23 H new ATOM 0 HG3 GLU A 41 10.418 -10.763 0.170 1.00 64.23 H new ATOM 710 N LYS A 42 12.137 -13.458 -1.198 1.00 23.44 N ATOM 711 CA LYS A 42 12.197 -14.697 -0.434 1.00 22.32 C ATOM 712 C LYS A 42 12.785 -14.527 0.960 1.00 21.12 C ATOM 713 O LYS A 42 12.752 -15.511 1.697 1.00 3.22 O ATOM 714 CB LYS A 42 13.001 -15.717 -1.256 1.00 45.24 C ATOM 715 CG LYS A 42 12.241 -16.213 -2.498 1.00 33.30 C ATOM 716 CD LYS A 42 11.432 -17.468 -2.178 1.00 42.12 C ATOM 717 CE LYS A 42 10.720 -17.989 -3.428 1.00 3.52 C ATOM 718 NZ LYS A 42 10.131 -19.320 -3.192 1.00 42.52 N ATOM 0 H LYS A 42 13.027 -12.961 -1.230 1.00 23.44 H new ATOM 0 HA LYS A 42 11.179 -15.047 -0.266 1.00 22.32 H new ATOM 0 HB2 LYS A 42 13.942 -15.264 -1.568 1.00 45.24 H new ATOM 0 HB3 LYS A 42 13.251 -16.569 -0.624 1.00 45.24 H new ATOM 0 HG2 LYS A 42 11.575 -15.429 -2.859 1.00 33.30 H new ATOM 0 HG3 LYS A 42 12.947 -16.426 -3.300 1.00 33.30 H new ATOM 0 HD2 LYS A 42 12.092 -18.240 -1.781 1.00 42.12 H new ATOM 0 HD3 LYS A 42 10.699 -17.246 -1.403 1.00 42.12 H new ATOM 0 HE2 LYS A 42 9.938 -17.289 -3.722 1.00 3.52 H new ATOM 0 HE3 LYS A 42 11.427 -18.043 -4.256 1.00 3.52 H new ATOM 0 HZ1 LYS A 42 9.655 -19.647 -4.057 1.00 42.52 H new ATOM 0 HZ2 LYS A 42 10.882 -19.992 -2.935 1.00 42.52 H new ATOM 0 HZ3 LYS A 42 9.439 -19.261 -2.417 1.00 42.52 H new ATOM 732 N GLN A 43 13.382 -13.388 1.317 1.00 42.45 N ATOM 733 CA GLN A 43 13.952 -13.145 2.632 1.00 4.41 C ATOM 734 C GLN A 43 13.048 -12.224 3.447 1.00 61.13 C ATOM 735 O GLN A 43 13.056 -12.307 4.675 1.00 44.44 O ATOM 736 CB GLN A 43 15.383 -12.593 2.542 1.00 64.23 C ATOM 737 CG GLN A 43 15.557 -11.318 1.694 1.00 31.44 C ATOM 738 CD GLN A 43 16.035 -11.540 0.256 1.00 13.11 C ATOM 739 OE1 GLN A 43 16.683 -10.676 -0.332 1.00 64.05 O ATOM 740 NE2 GLN A 43 15.789 -12.688 -0.344 1.00 22.01 N ATOM 0 H GLN A 43 13.482 -12.596 0.682 1.00 42.45 H new ATOM 0 HA GLN A 43 14.016 -14.103 3.149 1.00 4.41 H new ATOM 0 HB2 GLN A 43 15.737 -12.386 3.552 1.00 64.23 H new ATOM 0 HB3 GLN A 43 16.027 -13.371 2.132 1.00 64.23 H new ATOM 0 HG2 GLN A 43 14.604 -10.790 1.664 1.00 31.44 H new ATOM 0 HG3 GLN A 43 16.268 -10.663 2.197 1.00 31.44 H new ATOM 0 HE21 GLN A 43 15.252 -13.410 0.137 1.00 22.01 H new ATOM 0 HE22 GLN A 43 16.135 -12.854 -1.289 1.00 22.01 H new ATOM 749 N LEU A 44 12.298 -11.322 2.793 1.00 54.55 N ATOM 750 CA LEU A 44 11.417 -10.425 3.539 1.00 72.44 C ATOM 751 C LEU A 44 10.068 -11.114 3.798 1.00 52.55 C ATOM 752 O LEU A 44 9.620 -11.919 2.970 1.00 53.45 O ATOM 753 CB LEU A 44 11.224 -9.072 2.830 1.00 71.42 C ATOM 754 CG LEU A 44 12.504 -8.234 2.688 1.00 62.44 C ATOM 755 CD1 LEU A 44 12.164 -6.979 1.886 1.00 63.21 C ATOM 756 CD2 LEU A 44 13.096 -7.811 4.037 1.00 24.01 C ATOM 0 H LEU A 44 12.286 -11.200 1.780 1.00 54.55 H new ATOM 0 HA LEU A 44 11.894 -10.207 4.494 1.00 72.44 H new ATOM 0 HB2 LEU A 44 10.812 -9.253 1.837 1.00 71.42 H new ATOM 0 HB3 LEU A 44 10.484 -8.491 3.381 1.00 71.42 H new ATOM 0 HG LEU A 44 13.251 -8.850 2.188 1.00 62.44 H new ATOM 0 HD11 LEU A 44 13.059 -6.367 1.772 1.00 63.21 H new ATOM 0 HD12 LEU A 44 11.792 -7.265 0.902 1.00 63.21 H new ATOM 0 HD13 LEU A 44 11.398 -6.408 2.411 1.00 63.21 H new ATOM 0 HD21 LEU A 44 13.998 -7.222 3.870 1.00 24.01 H new ATOM 0 HD22 LEU A 44 12.367 -7.211 4.582 1.00 24.01 H new ATOM 0 HD23 LEU A 44 13.345 -8.698 4.619 1.00 24.01 H new ATOM 768 N PRO A 45 9.415 -10.822 4.937 1.00 70.34 N ATOM 769 CA PRO A 45 8.127 -11.398 5.278 1.00 51.51 C ATOM 770 C PRO A 45 7.026 -10.622 4.542 1.00 30.34 C ATOM 771 O PRO A 45 7.246 -9.488 4.097 1.00 32.20 O ATOM 772 CB PRO A 45 8.021 -11.241 6.797 1.00 62.04 C ATOM 773 CG PRO A 45 8.731 -9.918 7.045 1.00 32.10 C ATOM 774 CD PRO A 45 9.836 -9.904 5.984 1.00 51.32 C ATOM 0 HA PRO A 45 8.022 -12.444 4.989 1.00 51.51 H new ATOM 0 HB2 PRO A 45 6.984 -11.213 7.130 1.00 62.04 H new ATOM 0 HB3 PRO A 45 8.503 -12.065 7.324 1.00 62.04 H new ATOM 0 HG2 PRO A 45 8.054 -9.071 6.931 1.00 32.10 H new ATOM 0 HG3 PRO A 45 9.141 -9.865 8.053 1.00 32.10 H new ATOM 0 HD2 PRO A 45 9.978 -8.900 5.585 1.00 51.32 H new ATOM 0 HD3 PRO A 45 10.789 -10.215 6.412 1.00 51.32 H new ATOM 782 N VAL A 46 5.860 -11.246 4.397 1.00 33.10 N ATOM 783 CA VAL A 46 4.703 -10.655 3.742 1.00 53.53 C ATOM 784 C VAL A 46 3.941 -9.820 4.777 1.00 12.22 C ATOM 785 O VAL A 46 4.021 -10.096 5.980 1.00 12.40 O ATOM 786 CB VAL A 46 3.837 -11.788 3.141 1.00 50.25 C ATOM 787 CG1 VAL A 46 3.015 -12.554 4.194 1.00 11.54 C ATOM 788 CG2 VAL A 46 2.907 -11.278 2.032 1.00 13.21 C ATOM 0 H VAL A 46 5.693 -12.193 4.738 1.00 33.10 H new ATOM 0 HA VAL A 46 4.993 -9.996 2.924 1.00 53.53 H new ATOM 0 HB VAL A 46 4.553 -12.488 2.710 1.00 50.25 H new ATOM 0 HG11 VAL A 46 2.432 -13.333 3.704 1.00 11.54 H new ATOM 0 HG12 VAL A 46 3.688 -13.008 4.921 1.00 11.54 H new ATOM 0 HG13 VAL A 46 2.343 -11.864 4.703 1.00 11.54 H new ATOM 0 HG21 VAL A 46 2.319 -12.108 1.640 1.00 13.21 H new ATOM 0 HG22 VAL A 46 2.238 -10.519 2.438 1.00 13.21 H new ATOM 0 HG23 VAL A 46 3.502 -10.844 1.229 1.00 13.21 H new ATOM 798 N LEU A 47 3.198 -8.800 4.345 1.00 5.22 N ATOM 799 CA LEU A 47 2.409 -7.993 5.270 1.00 50.33 C ATOM 800 C LEU A 47 1.078 -8.713 5.517 1.00 4.12 C ATOM 801 O LEU A 47 0.710 -9.639 4.795 1.00 72.13 O ATOM 802 CB LEU A 47 2.145 -6.590 4.694 1.00 50.32 C ATOM 803 CG LEU A 47 3.176 -5.494 5.002 1.00 10.21 C ATOM 804 CD1 LEU A 47 3.406 -5.308 6.501 1.00 65.31 C ATOM 805 CD2 LEU A 47 4.514 -5.680 4.302 1.00 62.24 C ATOM 0 H LEU A 47 3.128 -8.516 3.368 1.00 5.22 H new ATOM 0 HA LEU A 47 2.959 -7.870 6.203 1.00 50.33 H new ATOM 0 HB2 LEU A 47 2.063 -6.681 3.611 1.00 50.32 H new ATOM 0 HB3 LEU A 47 1.175 -6.253 5.060 1.00 50.32 H new ATOM 0 HG LEU A 47 2.722 -4.590 4.596 1.00 10.21 H new ATOM 0 HD11 LEU A 47 4.144 -4.522 6.661 1.00 65.31 H new ATOM 0 HD12 LEU A 47 2.468 -5.029 6.981 1.00 65.31 H new ATOM 0 HD13 LEU A 47 3.771 -6.241 6.932 1.00 65.31 H new ATOM 0 HD21 LEU A 47 5.183 -4.864 4.574 1.00 62.24 H new ATOM 0 HD22 LEU A 47 4.956 -6.628 4.608 1.00 62.24 H new ATOM 0 HD23 LEU A 47 4.363 -5.681 3.223 1.00 62.24 H new ATOM 817 N ASP A 48 0.345 -8.298 6.550 1.00 14.34 N ATOM 818 CA ASP A 48 -0.962 -8.875 6.896 1.00 25.40 C ATOM 819 C ASP A 48 -2.052 -8.388 5.934 1.00 42.24 C ATOM 820 O ASP A 48 -3.095 -9.028 5.750 1.00 25.41 O ATOM 821 CB ASP A 48 -1.331 -8.410 8.309 1.00 30.20 C ATOM 822 CG ASP A 48 -2.646 -8.999 8.813 1.00 50.43 C ATOM 823 OD1 ASP A 48 -3.718 -8.391 8.618 1.00 71.44 O ATOM 824 OD2 ASP A 48 -2.593 -10.055 9.489 1.00 23.42 O ATOM 0 H ASP A 48 0.639 -7.548 7.176 1.00 14.34 H new ATOM 0 HA ASP A 48 -0.895 -9.961 6.833 1.00 25.40 H new ATOM 0 HB2 ASP A 48 -0.530 -8.685 8.996 1.00 30.20 H new ATOM 0 HB3 ASP A 48 -1.400 -7.322 8.320 1.00 30.20 H new ATOM 829 N LYS A 49 -1.795 -7.232 5.319 1.00 11.44 N ATOM 830 CA LYS A 49 -2.635 -6.499 4.385 1.00 2.22 C ATOM 831 C LYS A 49 -1.783 -6.038 3.210 1.00 24.30 C ATOM 832 O LYS A 49 -0.558 -6.066 3.289 1.00 52.51 O ATOM 833 CB LYS A 49 -3.131 -5.233 5.114 1.00 64.44 C ATOM 834 CG LYS A 49 -3.897 -5.477 6.425 1.00 62.53 C ATOM 835 CD LYS A 49 -5.398 -5.487 6.176 1.00 64.55 C ATOM 836 CE LYS A 49 -6.175 -5.906 7.410 1.00 64.42 C ATOM 837 NZ LYS A 49 -6.081 -7.352 7.708 1.00 43.12 N ATOM 0 H LYS A 49 -0.913 -6.746 5.480 1.00 11.44 H new ATOM 0 HA LYS A 49 -3.458 -7.124 4.039 1.00 2.22 H new ATOM 0 HB2 LYS A 49 -2.271 -4.599 5.330 1.00 64.44 H new ATOM 0 HB3 LYS A 49 -3.776 -4.675 4.436 1.00 64.44 H new ATOM 0 HG2 LYS A 49 -3.589 -6.428 6.861 1.00 62.53 H new ATOM 0 HG3 LYS A 49 -3.648 -4.700 7.148 1.00 62.53 H new ATOM 0 HD2 LYS A 49 -5.721 -4.494 5.864 1.00 64.55 H new ATOM 0 HD3 LYS A 49 -5.625 -6.168 5.356 1.00 64.55 H new ATOM 0 HE2 LYS A 49 -5.809 -5.342 8.268 1.00 64.42 H new ATOM 0 HE3 LYS A 49 -7.223 -5.639 7.277 1.00 64.42 H new ATOM 0 HZ1 LYS A 49 -6.851 -7.624 8.352 1.00 43.12 H new ATOM 0 HZ2 LYS A 49 -6.161 -7.894 6.824 1.00 43.12 H new ATOM 0 HZ3 LYS A 49 -5.165 -7.555 8.157 1.00 43.12 H new ATOM 851 N THR A 50 -2.420 -5.522 2.170 1.00 53.45 N ATOM 852 CA THR A 50 -1.761 -5.004 0.972 1.00 53.12 C ATOM 853 C THR A 50 -2.221 -3.562 0.733 1.00 31.34 C ATOM 854 O THR A 50 -1.462 -2.714 0.275 1.00 11.31 O ATOM 855 CB THR A 50 -2.055 -5.932 -0.212 1.00 74.25 C ATOM 856 OG1 THR A 50 -3.448 -6.179 -0.287 1.00 34.42 O ATOM 857 CG2 THR A 50 -1.339 -7.277 -0.047 1.00 44.52 C ATOM 0 H THR A 50 -3.437 -5.448 2.131 1.00 53.45 H new ATOM 0 HA THR A 50 -0.678 -4.983 1.097 1.00 53.12 H new ATOM 0 HB THR A 50 -1.700 -5.443 -1.119 1.00 74.25 H new ATOM 0 HG1 THR A 50 -3.665 -6.564 -1.162 1.00 34.42 H new ATOM 0 HG21 THR A 50 -1.565 -7.916 -0.901 1.00 44.52 H new ATOM 0 HG22 THR A 50 -0.263 -7.112 0.009 1.00 44.52 H new ATOM 0 HG23 THR A 50 -1.680 -7.761 0.869 1.00 44.52 H new ATOM 865 N LYS A 51 -3.476 -3.269 1.062 1.00 50.34 N ATOM 866 CA LYS A 51 -4.114 -1.971 0.949 1.00 24.11 C ATOM 867 C LYS A 51 -3.726 -1.176 2.197 1.00 22.32 C ATOM 868 O LYS A 51 -3.954 -1.638 3.311 1.00 30.23 O ATOM 869 CB LYS A 51 -5.624 -2.237 0.879 1.00 63.42 C ATOM 870 CG LYS A 51 -6.134 -2.469 -0.546 1.00 74.33 C ATOM 871 CD LYS A 51 -7.415 -3.304 -0.556 1.00 73.54 C ATOM 872 CE LYS A 51 -8.563 -2.663 0.227 1.00 33.40 C ATOM 873 NZ LYS A 51 -9.761 -3.513 0.183 1.00 32.41 N ATOM 0 H LYS A 51 -4.108 -3.977 1.436 1.00 50.34 H new ATOM 0 HA LYS A 51 -3.813 -1.402 0.069 1.00 24.11 H new ATOM 0 HB2 LYS A 51 -5.861 -3.109 1.488 1.00 63.42 H new ATOM 0 HB3 LYS A 51 -6.155 -1.391 1.314 1.00 63.42 H new ATOM 0 HG2 LYS A 51 -6.321 -1.509 -1.027 1.00 74.33 H new ATOM 0 HG3 LYS A 51 -5.365 -2.974 -1.131 1.00 74.33 H new ATOM 0 HD2 LYS A 51 -7.731 -3.460 -1.588 1.00 73.54 H new ATOM 0 HD3 LYS A 51 -7.203 -4.287 -0.136 1.00 73.54 H new ATOM 0 HE2 LYS A 51 -8.260 -2.506 1.262 1.00 33.40 H new ATOM 0 HE3 LYS A 51 -8.791 -1.682 -0.190 1.00 33.40 H new ATOM 0 HZ1 LYS A 51 -10.397 -3.257 0.965 1.00 32.41 H new ATOM 0 HZ2 LYS A 51 -10.252 -3.374 -0.723 1.00 32.41 H new ATOM 0 HZ3 LYS A 51 -9.482 -4.511 0.276 1.00 32.41 H new ATOM 887 N PHE A 52 -3.098 -0.013 2.054 1.00 34.03 N ATOM 888 CA PHE A 52 -2.693 0.829 3.180 1.00 45.55 C ATOM 889 C PHE A 52 -3.188 2.250 2.917 1.00 41.23 C ATOM 890 O PHE A 52 -3.514 2.626 1.785 1.00 73.12 O ATOM 891 CB PHE A 52 -1.163 0.864 3.354 1.00 54.44 C ATOM 892 CG PHE A 52 -0.486 -0.313 4.042 1.00 74.21 C ATOM 893 CD1 PHE A 52 -0.573 -1.619 3.524 1.00 52.13 C ATOM 894 CD2 PHE A 52 0.285 -0.088 5.200 1.00 61.11 C ATOM 895 CE1 PHE A 52 0.058 -2.691 4.179 1.00 14.50 C ATOM 896 CE2 PHE A 52 0.918 -1.158 5.857 1.00 70.24 C ATOM 897 CZ PHE A 52 0.796 -2.463 5.352 1.00 45.21 C ATOM 0 H PHE A 52 -2.852 0.378 1.144 1.00 34.03 H new ATOM 0 HA PHE A 52 -3.124 0.414 4.091 1.00 45.55 H new ATOM 0 HB2 PHE A 52 -0.719 0.971 2.364 1.00 54.44 H new ATOM 0 HB3 PHE A 52 -0.913 1.765 3.914 1.00 54.44 H new ATOM 0 HD1 PHE A 52 -1.129 -1.799 2.616 1.00 52.13 H new ATOM 0 HD2 PHE A 52 0.391 0.915 5.586 1.00 61.11 H new ATOM 0 HE1 PHE A 52 -0.025 -3.691 3.780 1.00 14.50 H new ATOM 0 HE2 PHE A 52 1.498 -0.976 6.750 1.00 70.24 H new ATOM 0 HZ PHE A 52 1.268 -3.288 5.864 1.00 45.21 H new ATOM 907 N LEU A 53 -3.191 3.066 3.970 1.00 1.44 N ATOM 908 CA LEU A 53 -3.624 4.458 3.923 1.00 5.10 C ATOM 909 C LEU A 53 -2.497 5.340 4.442 1.00 22.10 C ATOM 910 O LEU A 53 -2.088 5.190 5.598 1.00 31.20 O ATOM 911 CB LEU A 53 -4.906 4.637 4.752 1.00 14.31 C ATOM 912 CG LEU A 53 -6.204 4.729 3.947 1.00 30.24 C ATOM 913 CD1 LEU A 53 -6.172 5.944 3.030 1.00 45.24 C ATOM 914 CD2 LEU A 53 -6.468 3.465 3.144 1.00 12.04 C ATOM 0 H LEU A 53 -2.886 2.770 4.897 1.00 1.44 H new ATOM 0 HA LEU A 53 -3.852 4.749 2.898 1.00 5.10 H new ATOM 0 HB2 LEU A 53 -4.988 3.801 5.447 1.00 14.31 H new ATOM 0 HB3 LEU A 53 -4.806 5.541 5.352 1.00 14.31 H new ATOM 0 HG LEU A 53 -7.023 4.839 4.658 1.00 30.24 H new ATOM 0 HD11 LEU A 53 -7.102 5.997 2.463 1.00 45.24 H new ATOM 0 HD12 LEU A 53 -6.060 6.848 3.628 1.00 45.24 H new ATOM 0 HD13 LEU A 53 -5.332 5.858 2.341 1.00 45.24 H new ATOM 0 HD21 LEU A 53 -7.399 3.575 2.588 1.00 12.04 H new ATOM 0 HD22 LEU A 53 -5.647 3.299 2.447 1.00 12.04 H new ATOM 0 HD23 LEU A 53 -6.547 2.614 3.821 1.00 12.04 H new ATOM 926 N VAL A 54 -2.034 6.291 3.627 1.00 73.05 N ATOM 927 CA VAL A 54 -0.933 7.188 3.992 1.00 72.43 C ATOM 928 C VAL A 54 -1.405 8.644 3.939 1.00 62.21 C ATOM 929 O VAL A 54 -2.056 9.015 2.970 1.00 1.53 O ATOM 930 CB VAL A 54 0.252 6.964 3.029 1.00 54.23 C ATOM 931 CG1 VAL A 54 1.497 7.737 3.493 1.00 5.20 C ATOM 932 CG2 VAL A 54 0.607 5.478 2.860 1.00 34.40 C ATOM 0 H VAL A 54 -2.412 6.461 2.695 1.00 73.05 H new ATOM 0 HA VAL A 54 -0.607 6.971 5.009 1.00 72.43 H new ATOM 0 HB VAL A 54 -0.072 7.343 2.060 1.00 54.23 H new ATOM 0 HG11 VAL A 54 2.316 7.560 2.796 1.00 5.20 H new ATOM 0 HG12 VAL A 54 1.272 8.803 3.526 1.00 5.20 H new ATOM 0 HG13 VAL A 54 1.787 7.397 4.487 1.00 5.20 H new ATOM 0 HG21 VAL A 54 1.447 5.381 2.172 1.00 34.40 H new ATOM 0 HG22 VAL A 54 0.880 5.057 3.828 1.00 34.40 H new ATOM 0 HG23 VAL A 54 -0.253 4.942 2.460 1.00 34.40 H new ATOM 942 N PRO A 55 -1.127 9.485 4.945 1.00 15.30 N ATOM 943 CA PRO A 55 -1.547 10.880 4.926 1.00 13.44 C ATOM 944 C PRO A 55 -0.705 11.751 3.991 1.00 14.34 C ATOM 945 O PRO A 55 0.519 11.655 3.978 1.00 14.10 O ATOM 946 CB PRO A 55 -1.398 11.344 6.369 1.00 13.52 C ATOM 947 CG PRO A 55 -0.325 10.450 6.976 1.00 23.44 C ATOM 948 CD PRO A 55 -0.388 9.167 6.157 1.00 63.05 C ATOM 0 HA PRO A 55 -2.565 10.971 4.546 1.00 13.44 H new ATOM 0 HB2 PRO A 55 -1.107 12.393 6.416 1.00 13.52 H new ATOM 0 HB3 PRO A 55 -2.339 11.250 6.910 1.00 13.52 H new ATOM 0 HG2 PRO A 55 0.660 10.913 6.913 1.00 23.44 H new ATOM 0 HG3 PRO A 55 -0.519 10.257 8.031 1.00 23.44 H new ATOM 0 HD2 PRO A 55 0.614 8.810 5.918 1.00 63.05 H new ATOM 0 HD3 PRO A 55 -0.884 8.374 6.717 1.00 63.05 H new ATOM 956 N ASP A 56 -1.365 12.669 3.280 1.00 54.32 N ATOM 957 CA ASP A 56 -0.747 13.620 2.349 1.00 41.13 C ATOM 958 C ASP A 56 0.237 14.581 3.034 1.00 43.31 C ATOM 959 O ASP A 56 1.021 15.237 2.345 1.00 63.44 O ATOM 960 CB ASP A 56 -1.833 14.466 1.650 1.00 2.52 C ATOM 961 CG ASP A 56 -2.406 15.600 2.520 1.00 44.51 C ATOM 962 OD1 ASP A 56 -2.580 15.420 3.749 1.00 40.12 O ATOM 963 OD2 ASP A 56 -2.801 16.663 1.994 1.00 1.11 O ATOM 0 H ASP A 56 -2.378 12.775 3.338 1.00 54.32 H new ATOM 0 HA ASP A 56 -0.192 13.018 1.630 1.00 41.13 H new ATOM 0 HB2 ASP A 56 -1.413 14.897 0.741 1.00 2.52 H new ATOM 0 HB3 ASP A 56 -2.648 13.810 1.345 1.00 2.52 H new ATOM 968 N HIS A 57 0.207 14.694 4.366 1.00 63.43 N ATOM 969 CA HIS A 57 1.096 15.571 5.116 1.00 34.02 C ATOM 970 C HIS A 57 2.444 14.913 5.416 1.00 21.02 C ATOM 971 O HIS A 57 3.363 15.614 5.833 1.00 0.31 O ATOM 972 CB HIS A 57 0.410 16.033 6.418 1.00 62.14 C ATOM 973 CG HIS A 57 0.265 15.011 7.518 1.00 14.50 C ATOM 974 ND1 HIS A 57 -0.891 14.340 7.841 1.00 15.34 N ATOM 975 CD2 HIS A 57 1.217 14.677 8.446 1.00 13.10 C ATOM 976 CE1 HIS A 57 -0.629 13.572 8.911 1.00 41.12 C ATOM 977 NE2 HIS A 57 0.638 13.753 9.327 1.00 60.15 N ATOM 0 H HIS A 57 -0.443 14.172 4.954 1.00 63.43 H new ATOM 0 HA HIS A 57 1.302 16.441 4.492 1.00 34.02 H new ATOM 0 HB2 HIS A 57 0.971 16.879 6.814 1.00 62.14 H new ATOM 0 HB3 HIS A 57 -0.584 16.401 6.164 1.00 62.14 H new ATOM 0 HD2 HIS A 57 2.227 15.056 8.490 1.00 13.10 H new ATOM 0 HE1 HIS A 57 -1.338 12.901 9.374 1.00 41.12 H new ATOM 0 HE2 HIS A 57 1.088 13.306 10.126 1.00 60.15 H new ATOM 985 N VAL A 58 2.560 13.587 5.268 1.00 11.44 N ATOM 986 CA VAL A 58 3.788 12.856 5.545 1.00 61.21 C ATOM 987 C VAL A 58 4.595 12.539 4.279 1.00 31.02 C ATOM 988 O VAL A 58 4.142 12.703 3.142 1.00 32.20 O ATOM 989 CB VAL A 58 3.471 11.663 6.476 1.00 34.01 C ATOM 990 CG1 VAL A 58 3.249 10.321 5.761 1.00 62.35 C ATOM 991 CG2 VAL A 58 4.556 11.514 7.542 1.00 15.13 C ATOM 0 H VAL A 58 1.794 12.993 4.950 1.00 11.44 H new ATOM 0 HA VAL A 58 4.484 13.490 6.095 1.00 61.21 H new ATOM 0 HB VAL A 58 2.514 11.910 6.935 1.00 34.01 H new ATOM 0 HG11 VAL A 58 3.033 9.547 6.498 1.00 62.35 H new ATOM 0 HG12 VAL A 58 2.409 10.410 5.072 1.00 62.35 H new ATOM 0 HG13 VAL A 58 4.147 10.052 5.205 1.00 62.35 H new ATOM 0 HG21 VAL A 58 4.317 10.670 8.189 1.00 15.13 H new ATOM 0 HG22 VAL A 58 5.518 11.341 7.060 1.00 15.13 H new ATOM 0 HG23 VAL A 58 4.607 12.425 8.139 1.00 15.13 H new ATOM 1001 N ASN A 59 5.813 12.053 4.505 1.00 62.14 N ATOM 1002 CA ASN A 59 6.815 11.654 3.529 1.00 40.55 C ATOM 1003 C ASN A 59 7.099 10.159 3.628 1.00 11.12 C ATOM 1004 O ASN A 59 6.843 9.488 4.642 1.00 13.32 O ATOM 1005 CB ASN A 59 8.126 12.422 3.758 1.00 11.40 C ATOM 1006 CG ASN A 59 8.524 12.487 5.229 1.00 62.33 C ATOM 1007 OD1 ASN A 59 9.397 11.608 5.677 1.00 64.43 O flip ATOM 1008 ND2 ASN A 59 8.003 13.280 6.009 1.00 1.41 N flip ATOM 0 H ASN A 59 6.150 11.918 5.458 1.00 62.14 H new ATOM 0 HA ASN A 59 6.423 11.885 2.539 1.00 40.55 H new ATOM 0 HB2 ASN A 59 8.925 11.945 3.191 1.00 11.40 H new ATOM 0 HB3 ASN A 59 8.021 13.435 3.370 1.00 11.40 H new ATOM 0 HD21 ASN A 59 7.327 13.962 5.667 1.00 1.41 H new ATOM 0 HD22 ASN A 59 8.247 13.256 6.999 1.00 1.41 H new ATOM 1015 N MET A 60 7.743 9.660 2.576 1.00 21.22 N ATOM 1016 CA MET A 60 8.087 8.258 2.467 1.00 62.25 C ATOM 1017 C MET A 60 8.975 7.766 3.603 1.00 50.35 C ATOM 1018 O MET A 60 8.723 6.679 4.101 1.00 5.13 O ATOM 1019 CB MET A 60 8.694 7.947 1.087 1.00 74.14 C ATOM 1020 CG MET A 60 7.784 8.310 -0.097 1.00 25.02 C ATOM 1021 SD MET A 60 6.329 7.253 -0.302 1.00 5.33 S ATOM 1022 CE MET A 60 7.123 5.874 -1.161 1.00 25.44 C ATOM 0 H MET A 60 8.038 10.223 1.778 1.00 21.22 H new ATOM 0 HA MET A 60 7.156 7.700 2.562 1.00 62.25 H new ATOM 0 HB2 MET A 60 9.635 8.487 0.986 1.00 74.14 H new ATOM 0 HB3 MET A 60 8.930 6.884 1.037 1.00 74.14 H new ATOM 0 HG2 MET A 60 7.451 9.341 0.024 1.00 25.02 H new ATOM 0 HG3 MET A 60 8.373 8.271 -1.013 1.00 25.02 H new ATOM 0 HE1 MET A 60 6.559 4.959 -0.979 1.00 25.44 H new ATOM 0 HE2 MET A 60 7.148 6.078 -2.231 1.00 25.44 H new ATOM 0 HE3 MET A 60 8.141 5.753 -0.791 1.00 25.44 H new ATOM 1032 N SER A 61 9.912 8.563 4.118 1.00 23.24 N ATOM 1033 CA SER A 61 10.800 8.138 5.209 1.00 73.34 C ATOM 1034 C SER A 61 10.012 7.650 6.430 1.00 15.12 C ATOM 1035 O SER A 61 10.337 6.633 7.050 1.00 64.35 O ATOM 1036 CB SER A 61 11.730 9.303 5.583 1.00 75.41 C ATOM 1037 OG SER A 61 13.087 8.951 5.452 1.00 31.44 O ATOM 0 H SER A 61 10.079 9.516 3.795 1.00 23.24 H new ATOM 0 HA SER A 61 11.395 7.293 4.864 1.00 73.34 H new ATOM 0 HB2 SER A 61 11.514 10.160 4.945 1.00 75.41 H new ATOM 0 HB3 SER A 61 11.532 9.611 6.610 1.00 75.41 H new ATOM 0 HG SER A 61 13.648 9.716 5.696 1.00 31.44 H new ATOM 1043 N GLU A 62 8.981 8.411 6.784 1.00 51.24 N ATOM 1044 CA GLU A 62 8.094 8.143 7.897 1.00 1.31 C ATOM 1045 C GLU A 62 7.282 6.897 7.576 1.00 61.35 C ATOM 1046 O GLU A 62 7.175 5.995 8.407 1.00 54.41 O ATOM 1047 CB GLU A 62 7.211 9.372 8.077 1.00 51.21 C ATOM 1048 CG GLU A 62 8.010 10.586 8.555 1.00 35.23 C ATOM 1049 CD GLU A 62 8.586 10.429 9.966 1.00 42.15 C ATOM 1050 OE1 GLU A 62 7.865 9.956 10.875 1.00 43.34 O ATOM 1051 OE2 GLU A 62 9.774 10.773 10.171 1.00 42.11 O ATOM 0 H GLU A 62 8.736 9.263 6.280 1.00 51.24 H new ATOM 0 HA GLU A 62 8.634 7.957 8.826 1.00 1.31 H new ATOM 0 HB2 GLU A 62 6.722 9.609 7.132 1.00 51.21 H new ATOM 0 HB3 GLU A 62 6.423 9.150 8.797 1.00 51.21 H new ATOM 0 HG2 GLU A 62 8.827 10.769 7.857 1.00 35.23 H new ATOM 0 HG3 GLU A 62 7.367 11.465 8.531 1.00 35.23 H new ATOM 1058 N LEU A 63 6.745 6.825 6.352 1.00 53.22 N ATOM 1059 CA LEU A 63 5.974 5.661 5.916 1.00 73.31 C ATOM 1060 C LEU A 63 6.823 4.398 6.065 1.00 63.24 C ATOM 1061 O LEU A 63 6.376 3.436 6.696 1.00 45.32 O ATOM 1062 CB LEU A 63 5.423 5.914 4.502 1.00 4.54 C ATOM 1063 CG LEU A 63 5.544 4.846 3.395 1.00 72.04 C ATOM 1064 CD1 LEU A 63 5.066 3.428 3.731 1.00 51.15 C ATOM 1065 CD2 LEU A 63 4.665 5.356 2.251 1.00 2.24 C ATOM 0 H LEU A 63 6.832 7.559 5.649 1.00 53.22 H new ATOM 0 HA LEU A 63 5.100 5.499 6.548 1.00 73.31 H new ATOM 0 HB2 LEU A 63 4.363 6.142 4.610 1.00 4.54 H new ATOM 0 HB3 LEU A 63 5.907 6.816 4.128 1.00 4.54 H new ATOM 0 HG LEU A 63 6.608 4.735 3.187 1.00 72.04 H new ATOM 0 HD11 LEU A 63 5.208 2.781 2.865 1.00 51.15 H new ATOM 0 HD12 LEU A 63 5.641 3.040 4.572 1.00 51.15 H new ATOM 0 HD13 LEU A 63 4.009 3.453 3.995 1.00 51.15 H new ATOM 0 HD21 LEU A 63 4.699 4.648 1.423 1.00 2.24 H new ATOM 0 HD22 LEU A 63 3.637 5.458 2.599 1.00 2.24 H new ATOM 0 HD23 LEU A 63 5.032 6.326 1.915 1.00 2.24 H new ATOM 1077 N ILE A 64 8.048 4.408 5.531 1.00 52.44 N ATOM 1078 CA ILE A 64 8.988 3.299 5.594 1.00 14.23 C ATOM 1079 C ILE A 64 9.144 2.886 7.064 1.00 10.51 C ATOM 1080 O ILE A 64 9.092 1.697 7.380 1.00 51.43 O ATOM 1081 CB ILE A 64 10.338 3.681 4.923 1.00 50.31 C ATOM 1082 CG1 ILE A 64 10.268 3.860 3.385 1.00 11.44 C ATOM 1083 CG2 ILE A 64 11.445 2.671 5.272 1.00 21.20 C ATOM 1084 CD1 ILE A 64 9.866 2.637 2.568 1.00 45.41 C ATOM 0 H ILE A 64 8.418 5.215 5.029 1.00 52.44 H new ATOM 0 HA ILE A 64 8.613 2.443 5.034 1.00 14.23 H new ATOM 0 HB ILE A 64 10.579 4.659 5.338 1.00 50.31 H new ATOM 0 HG12 ILE A 64 9.561 4.661 3.168 1.00 11.44 H new ATOM 0 HG13 ILE A 64 11.245 4.195 3.037 1.00 11.44 H new ATOM 0 HG21 ILE A 64 12.375 2.968 4.787 1.00 21.20 H new ATOM 0 HG22 ILE A 64 11.590 2.649 6.352 1.00 21.20 H new ATOM 0 HG23 ILE A 64 11.155 1.679 4.925 1.00 21.20 H new ATOM 0 HD11 ILE A 64 9.855 2.895 1.509 1.00 45.41 H new ATOM 0 HD12 ILE A 64 10.583 1.834 2.739 1.00 45.41 H new ATOM 0 HD13 ILE A 64 8.872 2.307 2.872 1.00 45.41 H new ATOM 1096 N LYS A 65 9.305 3.857 7.969 1.00 3.21 N ATOM 1097 CA LYS A 65 9.449 3.610 9.399 1.00 51.41 C ATOM 1098 C LYS A 65 8.230 2.855 9.946 1.00 12.50 C ATOM 1099 O LYS A 65 8.437 1.869 10.646 1.00 73.33 O ATOM 1100 CB LYS A 65 9.751 4.946 10.114 1.00 51.54 C ATOM 1101 CG LYS A 65 9.058 5.153 11.471 1.00 74.12 C ATOM 1102 CD LYS A 65 9.022 6.649 11.840 1.00 43.34 C ATOM 1103 CE LYS A 65 7.840 6.992 12.750 1.00 23.04 C ATOM 1104 NZ LYS A 65 7.909 8.400 13.207 1.00 73.11 N ATOM 0 H LYS A 65 9.339 4.846 7.722 1.00 3.21 H new ATOM 0 HA LYS A 65 10.296 2.952 9.595 1.00 51.41 H new ATOM 0 HB2 LYS A 65 10.828 5.021 10.263 1.00 51.54 H new ATOM 0 HB3 LYS A 65 9.463 5.763 9.452 1.00 51.54 H new ATOM 0 HG2 LYS A 65 8.043 4.758 11.431 1.00 74.12 H new ATOM 0 HG3 LYS A 65 9.586 4.595 12.244 1.00 74.12 H new ATOM 0 HD2 LYS A 65 9.953 6.921 12.338 1.00 43.34 H new ATOM 0 HD3 LYS A 65 8.962 7.245 10.929 1.00 43.34 H new ATOM 0 HE2 LYS A 65 6.905 6.826 12.215 1.00 23.04 H new ATOM 0 HE3 LYS A 65 7.836 6.326 13.613 1.00 23.04 H new ATOM 0 HZ1 LYS A 65 7.087 8.610 13.808 1.00 73.11 H new ATOM 0 HZ2 LYS A 65 8.783 8.546 13.752 1.00 73.11 H new ATOM 0 HZ3 LYS A 65 7.906 9.033 12.382 1.00 73.11 H new ATOM 1118 N ILE A 66 6.979 3.271 9.684 1.00 31.41 N ATOM 1119 CA ILE A 66 5.814 2.545 10.225 1.00 45.54 C ATOM 1120 C ILE A 66 5.811 1.121 9.696 1.00 23.13 C ATOM 1121 O ILE A 66 5.527 0.181 10.444 1.00 13.40 O ATOM 1122 CB ILE A 66 4.469 3.264 9.957 1.00 24.32 C ATOM 1123 CG1 ILE A 66 4.261 4.372 11.001 1.00 74.34 C ATOM 1124 CG2 ILE A 66 3.251 2.319 10.071 1.00 72.13 C ATOM 1125 CD1 ILE A 66 4.873 5.724 10.646 1.00 32.04 C ATOM 0 H ILE A 66 6.750 4.086 9.115 1.00 31.41 H new ATOM 0 HA ILE A 66 5.913 2.522 11.310 1.00 45.54 H new ATOM 0 HB ILE A 66 4.529 3.653 8.941 1.00 24.32 H new ATOM 0 HG12 ILE A 66 3.191 4.506 11.157 1.00 74.34 H new ATOM 0 HG13 ILE A 66 4.682 4.039 11.950 1.00 74.34 H new ATOM 0 HG21 ILE A 66 2.337 2.878 9.873 1.00 72.13 H new ATOM 0 HG22 ILE A 66 3.347 1.512 9.344 1.00 72.13 H new ATOM 0 HG23 ILE A 66 3.209 1.899 11.076 1.00 72.13 H new ATOM 0 HD11 ILE A 66 4.671 6.436 11.446 1.00 32.04 H new ATOM 0 HD12 ILE A 66 5.950 5.614 10.522 1.00 32.04 H new ATOM 0 HD13 ILE A 66 4.436 6.089 9.717 1.00 32.04 H new ATOM 1137 N ILE A 67 6.118 0.952 8.414 1.00 21.12 N ATOM 1138 CA ILE A 67 6.166 -0.366 7.821 1.00 64.45 C ATOM 1139 C ILE A 67 7.237 -1.154 8.589 1.00 45.54 C ATOM 1140 O ILE A 67 6.982 -2.311 8.913 1.00 14.31 O ATOM 1141 CB ILE A 67 6.373 -0.219 6.296 1.00 41.42 C ATOM 1142 CG1 ILE A 67 5.010 -0.158 5.569 1.00 30.22 C ATOM 1143 CG2 ILE A 67 7.205 -1.346 5.668 1.00 12.21 C ATOM 1144 CD1 ILE A 67 3.986 0.846 6.118 1.00 43.54 C ATOM 0 H ILE A 67 6.336 1.714 7.772 1.00 21.12 H new ATOM 0 HA ILE A 67 5.242 -0.937 7.909 1.00 64.45 H new ATOM 0 HB ILE A 67 6.930 0.710 6.170 1.00 41.42 H new ATOM 0 HG12 ILE A 67 5.193 0.079 4.521 1.00 30.22 H new ATOM 0 HG13 ILE A 67 4.563 -1.152 5.598 1.00 30.22 H new ATOM 0 HG21 ILE A 67 7.305 -1.171 4.597 1.00 12.21 H new ATOM 0 HG22 ILE A 67 8.194 -1.367 6.126 1.00 12.21 H new ATOM 0 HG23 ILE A 67 6.708 -2.302 5.834 1.00 12.21 H new ATOM 0 HD11 ILE A 67 3.073 0.795 5.525 1.00 43.54 H new ATOM 0 HD12 ILE A 67 3.759 0.603 7.156 1.00 43.54 H new ATOM 0 HD13 ILE A 67 4.398 1.853 6.063 1.00 43.54 H new ATOM 1156 N ARG A 68 8.395 -0.564 8.949 1.00 74.44 N ATOM 1157 CA ARG A 68 9.399 -1.317 9.693 1.00 21.43 C ATOM 1158 C ARG A 68 8.895 -1.613 11.097 1.00 52.21 C ATOM 1159 O ARG A 68 9.103 -2.729 11.567 1.00 63.45 O ATOM 1160 CB ARG A 68 10.749 -0.591 9.723 1.00 24.32 C ATOM 1161 CG ARG A 68 11.470 -0.792 8.388 1.00 74.43 C ATOM 1162 CD ARG A 68 12.930 -0.351 8.444 1.00 2.43 C ATOM 1163 NE ARG A 68 13.651 -0.830 7.256 1.00 42.21 N ATOM 1164 CZ ARG A 68 14.912 -0.566 6.901 1.00 72.42 C ATOM 1165 NH1 ARG A 68 15.735 0.117 7.689 1.00 54.25 N ATOM 1166 NH2 ARG A 68 15.324 -0.994 5.717 1.00 14.40 N ATOM 0 H ARG A 68 8.645 0.403 8.740 1.00 74.44 H new ATOM 0 HA ARG A 68 9.564 -2.263 9.178 1.00 21.43 H new ATOM 0 HB2 ARG A 68 10.597 0.472 9.909 1.00 24.32 H new ATOM 0 HB3 ARG A 68 11.361 -0.974 10.540 1.00 24.32 H new ATOM 0 HG2 ARG A 68 11.421 -1.844 8.107 1.00 74.43 H new ATOM 0 HG3 ARG A 68 10.953 -0.230 7.610 1.00 74.43 H new ATOM 0 HD2 ARG A 68 12.987 0.736 8.499 1.00 2.43 H new ATOM 0 HD3 ARG A 68 13.401 -0.741 9.346 1.00 2.43 H new ATOM 0 HE ARG A 68 13.126 -1.437 6.627 1.00 42.21 H new ATOM 0 HH11 ARG A 68 15.410 0.456 8.594 1.00 54.25 H new ATOM 0 HH12 ARG A 68 16.692 0.302 7.389 1.00 54.25 H new ATOM 0 HH21 ARG A 68 14.685 -1.507 5.109 1.00 14.40 H new ATOM 0 HH22 ARG A 68 16.280 -0.811 5.413 1.00 14.40 H new ATOM 1180 N ARG A 69 8.126 -0.707 11.717 1.00 11.50 N ATOM 1181 CA ARG A 69 7.607 -0.900 13.064 1.00 11.11 C ATOM 1182 C ARG A 69 6.775 -2.170 13.143 1.00 43.25 C ATOM 1183 O ARG A 69 7.124 -3.074 13.897 1.00 63.15 O ATOM 1184 CB ARG A 69 6.710 0.285 13.481 1.00 12.52 C ATOM 1185 CG ARG A 69 6.380 0.237 14.990 1.00 62.35 C ATOM 1186 CD ARG A 69 7.471 0.866 15.872 1.00 71.22 C ATOM 1187 NE ARG A 69 7.494 2.337 15.764 1.00 70.14 N ATOM 1188 CZ ARG A 69 6.582 3.183 16.265 1.00 4.24 C ATOM 1189 NH1 ARG A 69 5.609 2.761 17.061 1.00 61.12 N ATOM 1190 NH2 ARG A 69 6.655 4.475 15.974 1.00 43.45 N ATOM 0 H ARG A 69 7.850 0.178 11.292 1.00 11.50 H new ATOM 0 HA ARG A 69 8.464 -0.972 13.733 1.00 11.11 H new ATOM 0 HB2 ARG A 69 7.212 1.224 13.246 1.00 12.52 H new ATOM 0 HB3 ARG A 69 5.786 0.265 12.904 1.00 12.52 H new ATOM 0 HG2 ARG A 69 5.437 0.755 15.165 1.00 62.35 H new ATOM 0 HG3 ARG A 69 6.234 -0.801 15.290 1.00 62.35 H new ATOM 0 HD2 ARG A 69 7.305 0.582 16.911 1.00 71.22 H new ATOM 0 HD3 ARG A 69 8.444 0.467 15.584 1.00 71.22 H new ATOM 0 HE ARG A 69 8.279 2.750 15.260 1.00 70.14 H new ATOM 0 HH11 ARG A 69 5.542 1.773 17.305 1.00 61.12 H new ATOM 0 HH12 ARG A 69 4.927 3.425 17.429 1.00 61.12 H new ATOM 0 HH21 ARG A 69 7.402 4.821 15.372 1.00 43.45 H new ATOM 0 HH22 ARG A 69 5.964 5.123 16.352 1.00 43.45 H new ATOM 1204 N ARG A 70 5.709 -2.273 12.353 1.00 62.33 N ATOM 1205 CA ARG A 70 4.840 -3.439 12.395 1.00 31.13 C ATOM 1206 C ARG A 70 5.467 -4.691 11.790 1.00 3.33 C ATOM 1207 O ARG A 70 5.164 -5.791 12.229 1.00 54.33 O ATOM 1208 CB ARG A 70 3.505 -3.064 11.754 1.00 2.21 C ATOM 1209 CG ARG A 70 3.645 -2.659 10.278 1.00 4.23 C ATOM 1210 CD ARG A 70 2.719 -3.491 9.383 1.00 61.31 C ATOM 1211 NE ARG A 70 2.928 -4.955 9.558 1.00 51.23 N ATOM 1212 CZ ARG A 70 2.020 -5.873 9.934 1.00 61.03 C ATOM 1213 NH1 ARG A 70 0.772 -5.520 10.211 1.00 44.35 N ATOM 1214 NH2 ARG A 70 2.359 -7.154 10.025 1.00 42.32 N ATOM 0 H ARG A 70 5.429 -1.562 11.677 1.00 62.33 H new ATOM 0 HA ARG A 70 4.674 -3.717 13.436 1.00 31.13 H new ATOM 0 HB2 ARG A 70 2.821 -3.909 11.831 1.00 2.21 H new ATOM 0 HB3 ARG A 70 3.058 -2.240 12.311 1.00 2.21 H new ATOM 0 HG2 ARG A 70 3.409 -1.601 10.165 1.00 4.23 H new ATOM 0 HG3 ARG A 70 4.679 -2.791 9.959 1.00 4.23 H new ATOM 0 HD2 ARG A 70 1.682 -3.245 9.609 1.00 61.31 H new ATOM 0 HD3 ARG A 70 2.890 -3.224 8.340 1.00 61.31 H new ATOM 0 HE ARG A 70 3.869 -5.302 9.371 1.00 51.23 H new ATOM 0 HH11 ARG A 70 0.491 -4.542 10.140 1.00 44.35 H new ATOM 0 HH12 ARG A 70 0.093 -6.226 10.495 1.00 44.35 H new ATOM 0 HH21 ARG A 70 3.312 -7.446 9.809 1.00 42.32 H new ATOM 0 HH22 ARG A 70 1.666 -7.846 10.311 1.00 42.32 H new ATOM 1228 N LEU A 71 6.316 -4.554 10.766 1.00 31.31 N ATOM 1229 CA LEU A 71 6.973 -5.696 10.129 1.00 5.34 C ATOM 1230 C LEU A 71 8.092 -6.258 11.016 1.00 64.23 C ATOM 1231 O LEU A 71 8.583 -7.361 10.764 1.00 34.04 O ATOM 1232 CB LEU A 71 7.481 -5.267 8.749 1.00 14.54 C ATOM 1233 CG LEU A 71 7.913 -6.455 7.871 1.00 41.52 C ATOM 1234 CD1 LEU A 71 7.203 -6.386 6.516 1.00 14.41 C ATOM 1235 CD2 LEU A 71 9.430 -6.451 7.680 1.00 52.23 C ATOM 0 H LEU A 71 6.565 -3.653 10.359 1.00 31.31 H new ATOM 0 HA LEU A 71 6.258 -6.508 9.998 1.00 5.34 H new ATOM 0 HB2 LEU A 71 6.697 -4.710 8.236 1.00 14.54 H new ATOM 0 HB3 LEU A 71 8.325 -4.588 8.873 1.00 14.54 H new ATOM 0 HG LEU A 71 7.632 -7.383 8.369 1.00 41.52 H new ATOM 0 HD11 LEU A 71 7.513 -7.230 5.899 1.00 14.41 H new ATOM 0 HD12 LEU A 71 6.124 -6.425 6.668 1.00 14.41 H new ATOM 0 HD13 LEU A 71 7.465 -5.454 6.015 1.00 14.41 H new ATOM 0 HD21 LEU A 71 9.721 -7.297 7.057 1.00 52.23 H new ATOM 0 HD22 LEU A 71 9.733 -5.523 7.196 1.00 52.23 H new ATOM 0 HD23 LEU A 71 9.919 -6.530 8.651 1.00 52.23 H new ATOM 1247 N GLN A 72 8.471 -5.511 12.060 1.00 1.54 N ATOM 1248 CA GLN A 72 9.500 -5.831 13.039 1.00 45.11 C ATOM 1249 C GLN A 72 10.774 -6.264 12.300 1.00 64.33 C ATOM 1250 O GLN A 72 11.395 -7.285 12.613 1.00 52.22 O ATOM 1251 CB GLN A 72 8.934 -6.797 14.079 1.00 33.14 C ATOM 1252 CG GLN A 72 7.802 -6.103 14.864 1.00 10.23 C ATOM 1253 CD GLN A 72 6.861 -7.079 15.528 1.00 31.02 C ATOM 1254 OE1 GLN A 72 6.518 -6.956 16.701 1.00 53.11 O ATOM 1255 NE2 GLN A 72 6.327 -8.005 14.762 1.00 1.24 N ATOM 0 H GLN A 72 8.034 -4.609 12.250 1.00 1.54 H new ATOM 0 HA GLN A 72 9.808 -4.967 13.628 1.00 45.11 H new ATOM 0 HB2 GLN A 72 8.554 -7.694 13.589 1.00 33.14 H new ATOM 0 HB3 GLN A 72 9.722 -7.116 14.762 1.00 33.14 H new ATOM 0 HG2 GLN A 72 8.239 -5.454 15.623 1.00 10.23 H new ATOM 0 HG3 GLN A 72 7.236 -5.464 14.186 1.00 10.23 H new ATOM 0 HE21 GLN A 72 6.622 -8.095 13.790 1.00 1.24 H new ATOM 0 HE22 GLN A 72 5.618 -8.633 15.140 1.00 1.24 H new ATOM 1264 N LEU A 73 11.114 -5.481 11.267 1.00 43.54 N ATOM 1265 CA LEU A 73 12.260 -5.677 10.386 1.00 70.03 C ATOM 1266 C LEU A 73 13.552 -5.647 11.193 1.00 72.01 C ATOM 1267 O LEU A 73 13.672 -4.896 12.164 1.00 32.33 O ATOM 1268 CB LEU A 73 12.231 -4.610 9.270 1.00 74.25 C ATOM 1269 CG LEU A 73 13.080 -4.837 7.994 1.00 61.14 C ATOM 1270 CD1 LEU A 73 14.514 -4.318 8.078 1.00 21.41 C ATOM 1271 CD2 LEU A 73 13.110 -6.279 7.472 1.00 21.44 C ATOM 0 H LEU A 73 10.568 -4.657 11.016 1.00 43.54 H new ATOM 0 HA LEU A 73 12.209 -6.656 9.910 1.00 70.03 H new ATOM 0 HB2 LEU A 73 11.194 -4.488 8.958 1.00 74.25 H new ATOM 0 HB3 LEU A 73 12.545 -3.664 9.711 1.00 74.25 H new ATOM 0 HG LEU A 73 12.531 -4.230 7.274 1.00 61.14 H new ATOM 0 HD11 LEU A 73 15.030 -4.522 7.140 1.00 21.41 H new ATOM 0 HD12 LEU A 73 14.502 -3.243 8.260 1.00 21.41 H new ATOM 0 HD13 LEU A 73 15.035 -4.818 8.894 1.00 21.41 H new ATOM 0 HD21 LEU A 73 13.731 -6.329 6.577 1.00 21.44 H new ATOM 0 HD22 LEU A 73 13.524 -6.935 8.238 1.00 21.44 H new ATOM 0 HD23 LEU A 73 12.097 -6.599 7.229 1.00 21.44 H new ATOM 1283 N ASN A 74 14.504 -6.470 10.771 1.00 61.02 N ATOM 1284 CA ASN A 74 15.822 -6.639 11.347 1.00 63.13 C ATOM 1285 C ASN A 74 16.616 -5.334 11.340 1.00 22.01 C ATOM 1286 O ASN A 74 16.280 -4.360 10.665 1.00 72.23 O ATOM 1287 CB ASN A 74 16.573 -7.672 10.479 1.00 41.41 C ATOM 1288 CG ASN A 74 16.825 -9.007 11.154 1.00 74.23 C ATOM 1289 OD1 ASN A 74 17.187 -9.978 10.342 1.00 14.53 O flip ATOM 1290 ND2 ASN A 74 16.723 -9.181 12.366 1.00 51.54 N flip ATOM 0 H ASN A 74 14.361 -7.075 9.963 1.00 61.02 H new ATOM 0 HA ASN A 74 15.719 -6.963 12.383 1.00 63.13 H new ATOM 0 HB2 ASN A 74 16.001 -7.844 9.567 1.00 41.41 H new ATOM 0 HB3 ASN A 74 17.530 -7.246 10.179 1.00 41.41 H new ATOM 0 HD21 ASN A 74 16.440 -8.409 12.970 1.00 51.54 H new ATOM 0 HD22 ASN A 74 16.921 -10.097 12.768 1.00 51.54 H new ATOM 1297 N ALA A 75 17.726 -5.330 12.063 1.00 43.34 N ATOM 1298 CA ALA A 75 18.640 -4.198 12.131 1.00 44.45 C ATOM 1299 C ALA A 75 19.840 -4.509 11.223 1.00 51.12 C ATOM 1300 O ALA A 75 20.468 -3.613 10.657 1.00 5.21 O ATOM 1301 CB ALA A 75 19.082 -3.994 13.576 1.00 74.15 C ATOM 0 H ALA A 75 18.022 -6.126 12.628 1.00 43.34 H new ATOM 0 HA ALA A 75 18.159 -3.280 11.794 1.00 44.45 H new ATOM 0 HB1 ALA A 75 19.766 -3.147 13.631 1.00 74.15 H new ATOM 0 HB2 ALA A 75 18.210 -3.796 14.199 1.00 74.15 H new ATOM 0 HB3 ALA A 75 19.586 -4.892 13.932 1.00 74.15 H new ATOM 1307 N ASN A 76 20.131 -5.804 11.057 1.00 13.53 N ATOM 1308 CA ASN A 76 21.210 -6.381 10.262 1.00 72.12 C ATOM 1309 C ASN A 76 20.803 -6.533 8.799 1.00 65.11 C ATOM 1310 O ASN A 76 21.612 -7.013 8.005 1.00 31.01 O ATOM 1311 CB ASN A 76 21.632 -7.732 10.860 1.00 45.12 C ATOM 1312 CG ASN A 76 20.414 -8.599 11.071 1.00 65.34 C ATOM 1313 OD1 ASN A 76 19.667 -8.403 12.022 1.00 33.44 O ATOM 1314 ND2 ASN A 76 20.084 -9.436 10.124 1.00 42.45 N ATOM 0 H ASN A 76 19.573 -6.527 11.511 1.00 13.53 H new ATOM 0 HA ASN A 76 22.062 -5.702 10.291 1.00 72.12 H new ATOM 0 HB2 ASN A 76 22.335 -8.232 10.193 1.00 45.12 H new ATOM 0 HB3 ASN A 76 22.148 -7.576 11.808 1.00 45.12 H new ATOM 0 HD21 ASN A 76 19.196 -9.935 10.171 1.00 42.45 H new ATOM 0 HD22 ASN A 76 20.715 -9.590 9.337 1.00 42.45 H new ATOM 1321 N GLN A 77 19.558 -6.214 8.425 1.00 65.12 N ATOM 1322 CA GLN A 77 19.098 -6.308 7.048 1.00 61.31 C ATOM 1323 C GLN A 77 18.399 -5.010 6.637 1.00 2.51 C ATOM 1324 O GLN A 77 17.826 -4.324 7.482 1.00 64.03 O ATOM 1325 CB GLN A 77 18.308 -7.610 6.858 1.00 24.41 C ATOM 1326 CG GLN A 77 16.802 -7.478 6.628 1.00 52.34 C ATOM 1327 CD GLN A 77 16.273 -8.858 6.261 1.00 44.55 C ATOM 1328 OE1 GLN A 77 15.913 -9.652 7.123 1.00 63.15 O ATOM 1329 NE2 GLN A 77 16.321 -9.208 4.987 1.00 70.31 N ATOM 0 H GLN A 77 18.845 -5.884 9.076 1.00 65.12 H new ATOM 0 HA GLN A 77 19.928 -6.390 6.346 1.00 61.31 H new ATOM 0 HB2 GLN A 77 18.735 -8.145 6.010 1.00 24.41 H new ATOM 0 HB3 GLN A 77 18.463 -8.233 7.739 1.00 24.41 H new ATOM 0 HG2 GLN A 77 16.308 -7.104 7.525 1.00 52.34 H new ATOM 0 HG3 GLN A 77 16.597 -6.764 5.830 1.00 52.34 H new ATOM 0 HE21 GLN A 77 16.623 -8.534 4.284 1.00 70.31 H new ATOM 0 HE22 GLN A 77 16.056 -10.152 4.707 1.00 70.31 H new ATOM 1338 N ALA A 78 18.508 -4.650 5.357 1.00 32.42 N ATOM 1339 CA ALA A 78 17.925 -3.464 4.738 1.00 11.40 C ATOM 1340 C ALA A 78 16.956 -3.830 3.606 1.00 21.04 C ATOM 1341 O ALA A 78 16.884 -4.996 3.220 1.00 71.32 O ATOM 1342 CB ALA A 78 19.079 -2.628 4.186 1.00 42.31 C ATOM 0 H ALA A 78 19.036 -5.212 4.689 1.00 32.42 H new ATOM 0 HA ALA A 78 17.350 -2.910 5.480 1.00 11.40 H new ATOM 0 HB1 ALA A 78 18.683 -1.729 3.713 1.00 42.31 H new ATOM 0 HB2 ALA A 78 19.746 -2.346 5.001 1.00 42.31 H new ATOM 0 HB3 ALA A 78 19.632 -3.212 3.450 1.00 42.31 H new ATOM 1348 N PHE A 79 16.215 -2.854 3.062 1.00 22.10 N ATOM 1349 CA PHE A 79 15.287 -3.074 1.947 1.00 23.43 C ATOM 1350 C PHE A 79 15.056 -1.782 1.157 1.00 53.41 C ATOM 1351 O PHE A 79 15.624 -0.746 1.508 1.00 63.13 O ATOM 1352 CB PHE A 79 13.947 -3.658 2.451 1.00 61.23 C ATOM 1353 CG PHE A 79 12.783 -2.700 2.697 1.00 12.23 C ATOM 1354 CD1 PHE A 79 12.983 -1.380 3.154 1.00 54.35 C ATOM 1355 CD2 PHE A 79 11.471 -3.122 2.401 1.00 42.53 C ATOM 1356 CE1 PHE A 79 11.903 -0.496 3.272 1.00 34.40 C ATOM 1357 CE2 PHE A 79 10.383 -2.245 2.558 1.00 61.41 C ATOM 1358 CZ PHE A 79 10.596 -0.928 2.990 1.00 65.43 C ATOM 0 H PHE A 79 16.244 -1.887 3.385 1.00 22.10 H new ATOM 0 HA PHE A 79 15.742 -3.801 1.274 1.00 23.43 H new ATOM 0 HB2 PHE A 79 13.616 -4.403 1.727 1.00 61.23 H new ATOM 0 HB3 PHE A 79 14.145 -4.186 3.384 1.00 61.23 H new ATOM 0 HD1 PHE A 79 13.977 -1.049 3.415 1.00 54.35 H new ATOM 0 HD2 PHE A 79 11.300 -4.129 2.050 1.00 42.53 H new ATOM 0 HE1 PHE A 79 12.076 0.524 3.582 1.00 34.40 H new ATOM 0 HE2 PHE A 79 9.381 -2.587 2.345 1.00 61.41 H new ATOM 0 HZ PHE A 79 9.762 -0.251 3.105 1.00 65.43 H new ATOM 1368 N PHE A 80 14.229 -1.842 0.113 1.00 42.12 N ATOM 1369 CA PHE A 80 13.828 -0.713 -0.712 1.00 45.31 C ATOM 1370 C PHE A 80 12.348 -0.945 -1.066 1.00 42.12 C ATOM 1371 O PHE A 80 11.820 -2.068 -0.973 1.00 44.52 O ATOM 1372 CB PHE A 80 14.719 -0.521 -1.956 1.00 50.41 C ATOM 1373 CG PHE A 80 16.185 -0.231 -1.698 1.00 42.41 C ATOM 1374 CD1 PHE A 80 17.082 -1.287 -1.459 1.00 1.41 C ATOM 1375 CD2 PHE A 80 16.669 1.092 -1.767 1.00 64.05 C ATOM 1376 CE1 PHE A 80 18.451 -1.024 -1.300 1.00 25.21 C ATOM 1377 CE2 PHE A 80 18.044 1.350 -1.625 1.00 65.15 C ATOM 1378 CZ PHE A 80 18.937 0.290 -1.394 1.00 42.13 C ATOM 0 H PHE A 80 13.805 -2.719 -0.190 1.00 42.12 H new ATOM 0 HA PHE A 80 13.954 0.221 -0.165 1.00 45.31 H new ATOM 0 HB2 PHE A 80 14.651 -1.421 -2.567 1.00 50.41 H new ATOM 0 HB3 PHE A 80 14.308 0.297 -2.547 1.00 50.41 H new ATOM 0 HD1 PHE A 80 16.717 -2.302 -1.398 1.00 1.41 H new ATOM 0 HD2 PHE A 80 15.982 1.909 -1.929 1.00 64.05 H new ATOM 0 HE1 PHE A 80 19.135 -1.837 -1.104 1.00 25.21 H new ATOM 0 HE2 PHE A 80 18.414 2.362 -1.693 1.00 65.15 H new ATOM 0 HZ PHE A 80 19.994 0.485 -1.289 1.00 42.13 H new ATOM 1388 N LEU A 81 11.694 0.143 -1.475 1.00 31.43 N ATOM 1389 CA LEU A 81 10.292 0.230 -1.858 1.00 42.45 C ATOM 1390 C LEU A 81 10.237 0.971 -3.198 1.00 13.22 C ATOM 1391 O LEU A 81 10.747 2.091 -3.297 1.00 23.31 O ATOM 1392 CB LEU A 81 9.549 0.985 -0.739 1.00 61.45 C ATOM 1393 CG LEU A 81 8.036 1.122 -0.974 1.00 4.32 C ATOM 1394 CD1 LEU A 81 7.268 -0.162 -0.685 1.00 21.12 C ATOM 1395 CD2 LEU A 81 7.455 2.236 -0.096 1.00 44.13 C ATOM 0 H LEU A 81 12.165 1.045 -1.551 1.00 31.43 H new ATOM 0 HA LEU A 81 9.818 -0.744 -1.980 1.00 42.45 H new ATOM 0 HB2 LEU A 81 9.714 0.467 0.206 1.00 61.45 H new ATOM 0 HB3 LEU A 81 9.982 1.980 -0.637 1.00 61.45 H new ATOM 0 HG LEU A 81 7.919 1.359 -2.032 1.00 4.32 H new ATOM 0 HD11 LEU A 81 6.206 -0.000 -0.870 1.00 21.12 H new ATOM 0 HD12 LEU A 81 7.632 -0.958 -1.335 1.00 21.12 H new ATOM 0 HD13 LEU A 81 7.416 -0.448 0.356 1.00 21.12 H new ATOM 0 HD21 LEU A 81 6.383 2.319 -0.275 1.00 44.13 H new ATOM 0 HD22 LEU A 81 7.630 2.001 0.954 1.00 44.13 H new ATOM 0 HD23 LEU A 81 7.938 3.182 -0.341 1.00 44.13 H new ATOM 1407 N LEU A 82 9.647 0.347 -4.212 1.00 74.33 N ATOM 1408 CA LEU A 82 9.486 0.837 -5.579 1.00 53.13 C ATOM 1409 C LEU A 82 8.055 1.362 -5.779 1.00 22.31 C ATOM 1410 O LEU A 82 7.139 0.919 -5.076 1.00 43.11 O ATOM 1411 CB LEU A 82 9.737 -0.313 -6.565 1.00 34.01 C ATOM 1412 CG LEU A 82 10.958 -1.226 -6.289 1.00 10.53 C ATOM 1413 CD1 LEU A 82 10.532 -2.549 -5.641 1.00 24.44 C ATOM 1414 CD2 LEU A 82 11.652 -1.551 -7.613 1.00 51.11 C ATOM 0 H LEU A 82 9.239 -0.580 -4.093 1.00 74.33 H new ATOM 0 HA LEU A 82 10.199 1.643 -5.756 1.00 53.13 H new ATOM 0 HB2 LEU A 82 8.845 -0.939 -6.589 1.00 34.01 H new ATOM 0 HB3 LEU A 82 9.853 0.115 -7.561 1.00 34.01 H new ATOM 0 HG LEU A 82 11.626 -0.695 -5.611 1.00 10.53 H new ATOM 0 HD11 LEU A 82 11.412 -3.166 -5.461 1.00 24.44 H new ATOM 0 HD12 LEU A 82 10.031 -2.346 -4.694 1.00 24.44 H new ATOM 0 HD13 LEU A 82 9.849 -3.077 -6.307 1.00 24.44 H new ATOM 0 HD21 LEU A 82 12.512 -2.193 -7.425 1.00 51.11 H new ATOM 0 HD22 LEU A 82 10.953 -2.064 -8.274 1.00 51.11 H new ATOM 0 HD23 LEU A 82 11.986 -0.627 -8.085 1.00 51.11 H new ATOM 1426 N VAL A 83 7.830 2.297 -6.707 1.00 4.54 N ATOM 1427 CA VAL A 83 6.509 2.858 -7.017 1.00 33.00 C ATOM 1428 C VAL A 83 6.116 2.262 -8.369 1.00 65.05 C ATOM 1429 O VAL A 83 6.905 2.338 -9.310 1.00 71.42 O ATOM 1430 CB VAL A 83 6.500 4.402 -7.029 1.00 21.02 C ATOM 1431 CG1 VAL A 83 5.038 4.872 -7.040 1.00 50.23 C ATOM 1432 CG2 VAL A 83 7.158 5.069 -5.815 1.00 5.14 C ATOM 0 H VAL A 83 8.577 2.694 -7.277 1.00 4.54 H new ATOM 0 HA VAL A 83 5.786 2.599 -6.244 1.00 33.00 H new ATOM 0 HB VAL A 83 7.075 4.690 -7.909 1.00 21.02 H new ATOM 0 HG11 VAL A 83 5.006 5.962 -7.049 1.00 50.23 H new ATOM 0 HG12 VAL A 83 4.539 4.487 -7.929 1.00 50.23 H new ATOM 0 HG13 VAL A 83 4.530 4.501 -6.150 1.00 50.23 H new ATOM 0 HG21 VAL A 83 7.100 6.152 -5.919 1.00 5.14 H new ATOM 0 HG22 VAL A 83 6.639 4.763 -4.906 1.00 5.14 H new ATOM 0 HG23 VAL A 83 8.203 4.766 -5.755 1.00 5.14 H new ATOM 1442 N ASN A 84 4.986 1.553 -8.442 1.00 72.14 N ATOM 1443 CA ASN A 84 4.431 0.859 -9.622 1.00 41.42 C ATOM 1444 C ASN A 84 5.347 -0.265 -10.134 1.00 22.02 C ATOM 1445 O ASN A 84 4.971 -1.008 -11.033 1.00 54.43 O ATOM 1446 CB ASN A 84 4.057 1.821 -10.768 1.00 45.42 C ATOM 1447 CG ASN A 84 2.921 2.781 -10.441 1.00 53.14 C ATOM 1448 OD1 ASN A 84 2.632 3.053 -9.283 1.00 10.53 O ATOM 1449 ND2 ASN A 84 2.275 3.329 -11.453 1.00 61.24 N ATOM 0 H ASN A 84 4.388 1.437 -7.624 1.00 72.14 H new ATOM 0 HA ASN A 84 3.507 0.399 -9.271 1.00 41.42 H new ATOM 0 HB2 ASN A 84 4.939 2.401 -11.041 1.00 45.42 H new ATOM 0 HB3 ASN A 84 3.779 1.233 -11.643 1.00 45.42 H new ATOM 0 HD21 ASN A 84 1.520 3.992 -11.277 1.00 61.24 H new ATOM 0 HD22 ASN A 84 2.531 3.090 -12.411 1.00 61.24 H new ATOM 1456 N GLY A 85 6.510 -0.462 -9.508 1.00 1.44 N ATOM 1457 CA GLY A 85 7.520 -1.447 -9.856 1.00 10.22 C ATOM 1458 C GLY A 85 8.843 -0.770 -10.206 1.00 43.54 C ATOM 1459 O GLY A 85 9.764 -1.470 -10.629 1.00 43.43 O ATOM 0 H GLY A 85 6.781 0.097 -8.699 1.00 1.44 H new ATOM 0 HA2 GLY A 85 7.667 -2.133 -9.022 1.00 10.22 H new ATOM 0 HA3 GLY A 85 7.177 -2.043 -10.702 1.00 10.22 H new ATOM 1463 N HIS A 86 8.975 0.544 -9.971 1.00 45.35 N ATOM 1464 CA HIS A 86 10.153 1.340 -10.278 1.00 65.31 C ATOM 1465 C HIS A 86 10.618 2.198 -9.096 1.00 34.41 C ATOM 1466 O HIS A 86 9.864 3.038 -8.593 1.00 65.05 O ATOM 1467 CB HIS A 86 9.800 2.250 -11.466 1.00 13.30 C ATOM 1468 CG HIS A 86 9.223 1.529 -12.663 1.00 1.33 C ATOM 1469 ND1 HIS A 86 9.963 1.049 -13.714 1.00 34.13 N ATOM 1470 CD2 HIS A 86 7.904 1.232 -12.908 1.00 70.23 C ATOM 1471 CE1 HIS A 86 9.123 0.466 -14.579 1.00 62.45 C ATOM 1472 NE2 HIS A 86 7.854 0.584 -14.150 1.00 45.33 N ATOM 0 H HIS A 86 8.230 1.095 -9.545 1.00 45.35 H new ATOM 0 HA HIS A 86 10.976 0.665 -10.512 1.00 65.31 H new ATOM 0 HB2 HIS A 86 9.084 3.001 -11.131 1.00 13.30 H new ATOM 0 HB3 HIS A 86 10.698 2.783 -11.778 1.00 13.30 H new ATOM 0 HD2 HIS A 86 7.065 1.455 -12.266 1.00 70.23 H new ATOM 0 HE1 HIS A 86 9.422 -0.029 -15.491 1.00 62.45 H new ATOM 0 HE2 HIS A 86 7.016 0.264 -14.635 1.00 45.33 H new ATOM 1480 N SER A 87 11.822 1.958 -8.577 1.00 65.41 N ATOM 1481 CA SER A 87 12.380 2.747 -7.487 1.00 63.21 C ATOM 1482 C SER A 87 12.997 3.964 -8.177 1.00 10.33 C ATOM 1483 O SER A 87 14.179 3.986 -8.506 1.00 71.14 O ATOM 1484 CB SER A 87 13.387 1.944 -6.660 1.00 43.42 C ATOM 1485 OG SER A 87 13.667 2.602 -5.437 1.00 4.34 O ATOM 0 H SER A 87 12.435 1.211 -8.903 1.00 65.41 H new ATOM 0 HA SER A 87 11.628 3.047 -6.757 1.00 63.21 H new ATOM 0 HB2 SER A 87 12.990 0.949 -6.461 1.00 43.42 H new ATOM 0 HB3 SER A 87 14.308 1.812 -7.227 1.00 43.42 H new ATOM 0 HG SER A 87 14.311 2.073 -4.921 1.00 4.34 H new ATOM 1491 N MET A 88 12.161 4.972 -8.410 1.00 31.32 N ATOM 1492 CA MET A 88 12.511 6.227 -9.066 1.00 34.20 C ATOM 1493 C MET A 88 12.005 7.431 -8.266 1.00 33.21 C ATOM 1494 O MET A 88 11.846 8.519 -8.815 1.00 33.34 O ATOM 1495 CB MET A 88 12.014 6.201 -10.518 1.00 13.13 C ATOM 1496 CG MET A 88 10.487 6.155 -10.633 1.00 25.14 C ATOM 1497 SD MET A 88 9.905 6.138 -12.343 1.00 32.34 S ATOM 1498 CE MET A 88 8.619 7.404 -12.216 1.00 73.25 C ATOM 0 H MET A 88 11.180 4.934 -8.135 1.00 31.32 H new ATOM 0 HA MET A 88 13.595 6.338 -9.098 1.00 34.20 H new ATOM 0 HB2 MET A 88 12.384 7.085 -11.038 1.00 13.13 H new ATOM 0 HB3 MET A 88 12.436 5.333 -11.024 1.00 13.13 H new ATOM 0 HG2 MET A 88 10.117 5.267 -10.121 1.00 25.14 H new ATOM 0 HG3 MET A 88 10.064 7.019 -10.120 1.00 25.14 H new ATOM 0 HE1 MET A 88 7.939 7.318 -13.063 1.00 73.25 H new ATOM 0 HE2 MET A 88 8.063 7.266 -11.289 1.00 73.25 H new ATOM 0 HE3 MET A 88 9.079 8.392 -12.220 1.00 73.25 H new ATOM 1508 N VAL A 89 11.625 7.209 -7.007 1.00 14.20 N ATOM 1509 CA VAL A 89 11.123 8.213 -6.088 1.00 70.35 C ATOM 1510 C VAL A 89 12.009 8.169 -4.845 1.00 54.15 C ATOM 1511 O VAL A 89 12.332 7.083 -4.344 1.00 4.41 O ATOM 1512 CB VAL A 89 9.638 7.918 -5.808 1.00 44.53 C ATOM 1513 CG1 VAL A 89 9.084 8.629 -4.568 1.00 61.45 C ATOM 1514 CG2 VAL A 89 8.800 8.315 -7.034 1.00 41.23 C ATOM 0 H VAL A 89 11.663 6.280 -6.588 1.00 14.20 H new ATOM 0 HA VAL A 89 11.165 9.225 -6.490 1.00 70.35 H new ATOM 0 HB VAL A 89 9.570 6.849 -5.608 1.00 44.53 H new ATOM 0 HG11 VAL A 89 8.033 8.370 -4.439 1.00 61.45 H new ATOM 0 HG12 VAL A 89 9.645 8.316 -3.688 1.00 61.45 H new ATOM 0 HG13 VAL A 89 9.179 9.707 -4.694 1.00 61.45 H new ATOM 0 HG21 VAL A 89 7.748 8.107 -6.838 1.00 41.23 H new ATOM 0 HG22 VAL A 89 8.929 9.379 -7.234 1.00 41.23 H new ATOM 0 HG23 VAL A 89 9.128 7.741 -7.900 1.00 41.23 H new ATOM 1524 N SER A 90 12.398 9.350 -4.370 1.00 34.23 N ATOM 1525 CA SER A 90 13.231 9.534 -3.196 1.00 53.53 C ATOM 1526 C SER A 90 12.416 9.335 -1.921 1.00 72.42 C ATOM 1527 O SER A 90 11.211 9.589 -1.859 1.00 54.43 O ATOM 1528 CB SER A 90 13.850 10.934 -3.222 1.00 63.14 C ATOM 1529 OG SER A 90 14.740 11.025 -4.313 1.00 34.12 O ATOM 0 H SER A 90 12.130 10.231 -4.810 1.00 34.23 H new ATOM 0 HA SER A 90 14.028 8.790 -3.207 1.00 53.53 H new ATOM 0 HB2 SER A 90 13.069 11.689 -3.310 1.00 63.14 H new ATOM 0 HB3 SER A 90 14.378 11.129 -2.289 1.00 63.14 H new ATOM 0 HG SER A 90 15.139 11.920 -4.336 1.00 34.12 H new ATOM 1535 N VAL A 91 13.119 8.939 -0.865 1.00 71.03 N ATOM 1536 CA VAL A 91 12.573 8.659 0.454 1.00 21.30 C ATOM 1537 C VAL A 91 12.058 9.943 1.154 1.00 24.41 C ATOM 1538 O VAL A 91 11.339 9.859 2.151 1.00 2.24 O ATOM 1539 CB VAL A 91 13.636 7.852 1.243 1.00 25.02 C ATOM 1540 CG1 VAL A 91 13.048 7.219 2.505 1.00 1.20 C ATOM 1541 CG2 VAL A 91 14.225 6.674 0.433 1.00 50.22 C ATOM 0 H VAL A 91 14.128 8.799 -0.909 1.00 71.03 H new ATOM 0 HA VAL A 91 11.676 8.043 0.388 1.00 21.30 H new ATOM 0 HB VAL A 91 14.408 8.586 1.475 1.00 25.02 H new ATOM 0 HG11 VAL A 91 13.825 6.663 3.029 1.00 1.20 H new ATOM 0 HG12 VAL A 91 12.659 8.001 3.157 1.00 1.20 H new ATOM 0 HG13 VAL A 91 12.240 6.541 2.230 1.00 1.20 H new ATOM 0 HG21 VAL A 91 14.963 6.148 1.039 1.00 50.22 H new ATOM 0 HG22 VAL A 91 13.426 5.986 0.157 1.00 50.22 H new ATOM 0 HG23 VAL A 91 14.703 7.056 -0.469 1.00 50.22 H new ATOM 1551 N SER A 92 12.338 11.139 0.631 1.00 61.13 N ATOM 1552 CA SER A 92 11.890 12.406 1.209 1.00 32.14 C ATOM 1553 C SER A 92 10.855 13.122 0.323 1.00 13.21 C ATOM 1554 O SER A 92 10.538 14.289 0.570 1.00 63.22 O ATOM 1555 CB SER A 92 13.109 13.271 1.540 1.00 64.34 C ATOM 1556 OG SER A 92 13.912 12.660 2.539 1.00 42.12 O ATOM 0 H SER A 92 12.891 11.255 -0.218 1.00 61.13 H new ATOM 0 HA SER A 92 11.360 12.204 2.140 1.00 32.14 H new ATOM 0 HB2 SER A 92 13.702 13.430 0.639 1.00 64.34 H new ATOM 0 HB3 SER A 92 12.781 14.252 1.883 1.00 64.34 H new ATOM 0 HG SER A 92 14.685 13.231 2.732 1.00 42.12 H new ATOM 1562 N THR A 93 10.330 12.476 -0.717 1.00 74.35 N ATOM 1563 CA THR A 93 9.334 13.069 -1.607 1.00 44.13 C ATOM 1564 C THR A 93 7.934 12.883 -0.994 1.00 74.14 C ATOM 1565 O THR A 93 7.668 11.825 -0.407 1.00 3.51 O ATOM 1566 CB THR A 93 9.491 12.423 -2.997 1.00 54.14 C ATOM 1567 OG1 THR A 93 10.814 12.675 -3.433 1.00 40.21 O ATOM 1568 CG2 THR A 93 8.570 12.984 -4.080 1.00 55.53 C ATOM 0 H THR A 93 10.586 11.521 -0.967 1.00 74.35 H new ATOM 0 HA THR A 93 9.477 14.143 -1.726 1.00 44.13 H new ATOM 0 HB THR A 93 9.240 11.370 -2.872 1.00 54.14 H new ATOM 0 HG1 THR A 93 10.949 12.275 -4.317 1.00 40.21 H new ATOM 0 HG21 THR A 93 8.756 12.465 -5.020 1.00 55.53 H new ATOM 0 HG22 THR A 93 7.531 12.839 -3.785 1.00 55.53 H new ATOM 0 HG23 THR A 93 8.765 14.049 -4.208 1.00 55.53 H new ATOM 1576 N PRO A 94 7.040 13.888 -1.084 1.00 15.53 N ATOM 1577 CA PRO A 94 5.694 13.781 -0.549 1.00 13.22 C ATOM 1578 C PRO A 94 4.893 12.790 -1.395 1.00 0.22 C ATOM 1579 O PRO A 94 4.845 12.865 -2.630 1.00 61.34 O ATOM 1580 CB PRO A 94 5.097 15.188 -0.574 1.00 44.51 C ATOM 1581 CG PRO A 94 5.894 15.917 -1.651 1.00 3.50 C ATOM 1582 CD PRO A 94 7.230 15.181 -1.728 1.00 12.30 C ATOM 0 HA PRO A 94 5.680 13.404 0.473 1.00 13.22 H new ATOM 0 HB2 PRO A 94 4.034 15.165 -0.813 1.00 44.51 H new ATOM 0 HB3 PRO A 94 5.195 15.679 0.394 1.00 44.51 H new ATOM 0 HG2 PRO A 94 5.375 15.892 -2.609 1.00 3.50 H new ATOM 0 HG3 PRO A 94 6.037 16.966 -1.393 1.00 3.50 H new ATOM 0 HD2 PRO A 94 7.541 15.054 -2.765 1.00 12.30 H new ATOM 0 HD3 PRO A 94 8.013 15.750 -1.228 1.00 12.30 H new ATOM 1590 N ILE A 95 4.259 11.834 -0.720 1.00 31.24 N ATOM 1591 CA ILE A 95 3.461 10.821 -1.380 1.00 13.11 C ATOM 1592 C ILE A 95 2.308 11.454 -2.185 1.00 21.43 C ATOM 1593 O ILE A 95 1.818 10.806 -3.106 1.00 41.34 O ATOM 1594 CB ILE A 95 3.070 9.712 -0.378 1.00 41.43 C ATOM 1595 CG1 ILE A 95 2.235 8.606 -1.063 1.00 30.40 C ATOM 1596 CG2 ILE A 95 2.429 10.286 0.899 1.00 43.34 C ATOM 1597 CD1 ILE A 95 2.221 7.283 -0.292 1.00 44.23 C ATOM 0 H ILE A 95 4.288 11.746 0.296 1.00 31.24 H new ATOM 0 HA ILE A 95 4.049 10.309 -2.141 1.00 13.11 H new ATOM 0 HB ILE A 95 3.984 9.225 -0.037 1.00 41.43 H new ATOM 0 HG12 ILE A 95 1.210 8.958 -1.183 1.00 30.40 H new ATOM 0 HG13 ILE A 95 2.631 8.430 -2.063 1.00 30.40 H new ATOM 0 HG21 ILE A 95 2.170 9.471 1.574 1.00 43.34 H new ATOM 0 HG22 ILE A 95 3.135 10.955 1.391 1.00 43.34 H new ATOM 0 HG23 ILE A 95 1.527 10.839 0.636 1.00 43.34 H new ATOM 0 HD11 ILE A 95 1.616 6.554 -0.831 1.00 44.23 H new ATOM 0 HD12 ILE A 95 3.240 6.908 -0.194 1.00 44.23 H new ATOM 0 HD13 ILE A 95 1.797 7.444 0.699 1.00 44.23 H new ATOM 1609 N SER A 96 1.888 12.695 -1.897 1.00 13.13 N ATOM 1610 CA SER A 96 0.817 13.340 -2.660 1.00 33.03 C ATOM 1611 C SER A 96 1.268 13.567 -4.112 1.00 63.45 C ATOM 1612 O SER A 96 0.503 13.297 -5.047 1.00 35.20 O ATOM 1613 CB SER A 96 0.359 14.638 -1.979 1.00 73.42 C ATOM 1614 OG SER A 96 -1.057 14.668 -1.901 1.00 44.33 O ATOM 0 H SER A 96 2.273 13.267 -1.145 1.00 13.13 H new ATOM 0 HA SER A 96 -0.050 12.680 -2.684 1.00 33.03 H new ATOM 0 HB2 SER A 96 0.789 14.706 -0.980 1.00 73.42 H new ATOM 0 HB3 SER A 96 0.719 15.500 -2.540 1.00 73.42 H new ATOM 0 HG SER A 96 -1.343 15.497 -1.464 1.00 44.33 H new ATOM 1620 N GLU A 97 2.498 14.057 -4.326 1.00 44.41 N ATOM 1621 CA GLU A 97 2.966 14.263 -5.690 1.00 22.24 C ATOM 1622 C GLU A 97 3.303 12.899 -6.287 1.00 31.13 C ATOM 1623 O GLU A 97 2.990 12.667 -7.452 1.00 51.43 O ATOM 1624 CB GLU A 97 4.033 15.356 -5.809 1.00 14.14 C ATOM 1625 CG GLU A 97 5.451 15.022 -5.331 1.00 74.13 C ATOM 1626 CD GLU A 97 6.353 16.269 -5.257 1.00 23.04 C ATOM 1627 OE1 GLU A 97 5.848 17.417 -5.339 1.00 63.04 O ATOM 1628 OE2 GLU A 97 7.581 16.124 -5.090 1.00 13.13 O ATOM 0 H GLU A 97 3.162 14.309 -3.594 1.00 44.41 H new ATOM 0 HA GLU A 97 2.177 14.689 -6.309 1.00 22.24 H new ATOM 0 HB2 GLU A 97 4.093 15.653 -6.856 1.00 14.14 H new ATOM 0 HB3 GLU A 97 3.687 16.225 -5.250 1.00 14.14 H new ATOM 0 HG2 GLU A 97 5.400 14.555 -4.348 1.00 74.13 H new ATOM 0 HG3 GLU A 97 5.898 14.293 -6.007 1.00 74.13 H new ATOM 1635 N VAL A 98 3.836 11.959 -5.492 1.00 24.32 N ATOM 1636 CA VAL A 98 4.131 10.621 -6.022 1.00 14.21 C ATOM 1637 C VAL A 98 2.826 10.009 -6.561 1.00 52.11 C ATOM 1638 O VAL A 98 2.828 9.366 -7.612 1.00 12.53 O ATOM 1639 CB VAL A 98 4.769 9.740 -4.934 1.00 73.42 C ATOM 1640 CG1 VAL A 98 5.007 8.294 -5.392 1.00 24.04 C ATOM 1641 CG2 VAL A 98 6.108 10.328 -4.474 1.00 62.11 C ATOM 0 H VAL A 98 4.066 12.094 -4.508 1.00 24.32 H new ATOM 0 HA VAL A 98 4.851 10.689 -6.837 1.00 14.21 H new ATOM 0 HB VAL A 98 4.054 9.723 -4.112 1.00 73.42 H new ATOM 0 HG11 VAL A 98 5.459 7.725 -4.580 1.00 24.04 H new ATOM 0 HG12 VAL A 98 4.056 7.839 -5.669 1.00 24.04 H new ATOM 0 HG13 VAL A 98 5.675 8.290 -6.253 1.00 24.04 H new ATOM 0 HG21 VAL A 98 6.541 9.689 -3.705 1.00 62.11 H new ATOM 0 HG22 VAL A 98 6.790 10.388 -5.322 1.00 62.11 H new ATOM 0 HG23 VAL A 98 5.947 11.326 -4.068 1.00 62.11 H new ATOM 1651 N TYR A 99 1.711 10.233 -5.860 1.00 74.35 N ATOM 1652 CA TYR A 99 0.392 9.753 -6.223 1.00 44.11 C ATOM 1653 C TYR A 99 0.003 10.343 -7.566 1.00 43.33 C ATOM 1654 O TYR A 99 -0.375 9.595 -8.465 1.00 53.41 O ATOM 1655 CB TYR A 99 -0.613 10.158 -5.138 1.00 70.42 C ATOM 1656 CG TYR A 99 -2.059 9.718 -5.281 1.00 24.20 C ATOM 1657 CD1 TYR A 99 -2.452 8.650 -6.114 1.00 74.01 C ATOM 1658 CD2 TYR A 99 -3.032 10.408 -4.534 1.00 72.14 C ATOM 1659 CE1 TYR A 99 -3.801 8.257 -6.170 1.00 25.43 C ATOM 1660 CE2 TYR A 99 -4.379 10.020 -4.593 1.00 53.54 C ATOM 1661 CZ TYR A 99 -4.772 8.935 -5.401 1.00 22.00 C ATOM 1662 OH TYR A 99 -6.084 8.583 -5.456 1.00 33.31 O ATOM 0 H TYR A 99 1.711 10.774 -4.995 1.00 74.35 H new ATOM 0 HA TYR A 99 0.394 8.666 -6.304 1.00 44.11 H new ATOM 0 HB2 TYR A 99 -0.244 9.775 -4.187 1.00 70.42 H new ATOM 0 HB3 TYR A 99 -0.604 11.246 -5.069 1.00 70.42 H new ATOM 0 HD1 TYR A 99 -1.715 8.133 -6.710 1.00 74.01 H new ATOM 0 HD2 TYR A 99 -2.740 11.241 -3.912 1.00 72.14 H new ATOM 0 HE1 TYR A 99 -4.096 7.433 -6.804 1.00 25.43 H new ATOM 0 HE2 TYR A 99 -5.118 10.556 -4.016 1.00 53.54 H new ATOM 0 HH TYR A 99 -6.209 7.894 -6.141 1.00 33.31 H new ATOM 1672 N GLU A 100 0.044 11.674 -7.710 1.00 51.13 N ATOM 1673 CA GLU A 100 -0.323 12.246 -9.003 1.00 4.12 C ATOM 1674 C GLU A 100 0.665 11.920 -10.132 1.00 31.32 C ATOM 1675 O GLU A 100 0.293 12.109 -11.291 1.00 44.14 O ATOM 1676 CB GLU A 100 -0.713 13.723 -8.921 1.00 64.14 C ATOM 1677 CG GLU A 100 0.373 14.639 -8.341 1.00 62.41 C ATOM 1678 CD GLU A 100 0.262 16.110 -8.778 1.00 2.23 C ATOM 1679 OE1 GLU A 100 -0.404 16.401 -9.805 1.00 11.32 O ATOM 1680 OE2 GLU A 100 0.825 17.001 -8.097 1.00 14.20 O ATOM 0 H GLU A 100 0.313 12.341 -6.987 1.00 51.13 H new ATOM 0 HA GLU A 100 -1.238 11.729 -9.294 1.00 4.12 H new ATOM 0 HB2 GLU A 100 -0.970 14.074 -9.921 1.00 64.14 H new ATOM 0 HB3 GLU A 100 -1.611 13.815 -8.311 1.00 64.14 H new ATOM 0 HG2 GLU A 100 0.329 14.591 -7.253 1.00 62.41 H new ATOM 0 HG3 GLU A 100 1.350 14.257 -8.637 1.00 62.41 H new ATOM 1687 N SER A 101 1.871 11.417 -9.856 1.00 54.11 N ATOM 1688 CA SER A 101 2.809 11.055 -10.914 1.00 34.21 C ATOM 1689 C SER A 101 2.605 9.603 -11.364 1.00 63.15 C ATOM 1690 O SER A 101 2.643 9.318 -12.563 1.00 5.14 O ATOM 1691 CB SER A 101 4.255 11.178 -10.426 1.00 12.44 C ATOM 1692 OG SER A 101 4.584 12.491 -10.022 1.00 44.14 O ATOM 0 H SER A 101 2.217 11.253 -8.911 1.00 54.11 H new ATOM 0 HA SER A 101 2.623 11.738 -11.743 1.00 34.21 H new ATOM 0 HB2 SER A 101 4.412 10.495 -9.591 1.00 12.44 H new ATOM 0 HB3 SER A 101 4.931 10.867 -11.223 1.00 12.44 H new ATOM 0 HG SER A 101 4.115 12.704 -9.189 1.00 44.14 H new ATOM 1698 N GLU A 102 2.302 8.694 -10.433 1.00 2.43 N ATOM 1699 CA GLU A 102 2.146 7.273 -10.719 1.00 65.41 C ATOM 1700 C GLU A 102 0.709 6.733 -10.647 1.00 62.23 C ATOM 1701 O GLU A 102 0.526 5.523 -10.795 1.00 25.41 O ATOM 1702 CB GLU A 102 3.123 6.498 -9.813 1.00 12.52 C ATOM 1703 CG GLU A 102 4.562 7.049 -9.756 1.00 54.43 C ATOM 1704 CD GLU A 102 5.212 7.255 -11.119 1.00 23.44 C ATOM 1705 OE1 GLU A 102 5.429 6.264 -11.847 1.00 65.45 O ATOM 1706 OE2 GLU A 102 5.643 8.397 -11.402 1.00 33.13 O ATOM 0 H GLU A 102 2.158 8.931 -9.451 1.00 2.43 H new ATOM 0 HA GLU A 102 2.392 7.121 -11.770 1.00 65.41 H new ATOM 0 HB2 GLU A 102 2.718 6.485 -8.801 1.00 12.52 H new ATOM 0 HB3 GLU A 102 3.163 5.463 -10.154 1.00 12.52 H new ATOM 0 HG2 GLU A 102 4.553 8.000 -9.224 1.00 54.43 H new ATOM 0 HG3 GLU A 102 5.178 6.364 -9.173 1.00 54.43 H new ATOM 1713 N LYS A 103 -0.306 7.592 -10.470 1.00 5.34 N ATOM 1714 CA LYS A 103 -1.728 7.219 -10.387 1.00 72.01 C ATOM 1715 C LYS A 103 -2.133 6.142 -11.407 1.00 50.12 C ATOM 1716 O LYS A 103 -2.058 6.367 -12.614 1.00 65.14 O ATOM 1717 CB LYS A 103 -2.603 8.488 -10.550 1.00 13.31 C ATOM 1718 CG LYS A 103 -2.193 9.543 -11.590 1.00 3.51 C ATOM 1719 CD LYS A 103 -3.342 10.522 -11.913 1.00 5.33 C ATOM 1720 CE LYS A 103 -3.602 11.504 -10.762 1.00 13.11 C ATOM 1721 NZ LYS A 103 -4.424 12.669 -11.156 1.00 73.35 N ATOM 0 H LYS A 103 -0.156 8.597 -10.378 1.00 5.34 H new ATOM 0 HA LYS A 103 -1.892 6.776 -9.405 1.00 72.01 H new ATOM 0 HB2 LYS A 103 -3.615 8.162 -10.792 1.00 13.31 H new ATOM 0 HB3 LYS A 103 -2.651 8.982 -9.580 1.00 13.31 H new ATOM 0 HG2 LYS A 103 -1.335 10.103 -11.218 1.00 3.51 H new ATOM 0 HG3 LYS A 103 -1.875 9.044 -12.505 1.00 3.51 H new ATOM 0 HD2 LYS A 103 -3.099 11.080 -12.818 1.00 5.33 H new ATOM 0 HD3 LYS A 103 -4.251 9.958 -12.121 1.00 5.33 H new ATOM 0 HE2 LYS A 103 -4.101 10.976 -9.949 1.00 13.11 H new ATOM 0 HE3 LYS A 103 -2.647 11.858 -10.374 1.00 13.11 H new ATOM 0 HZ1 LYS A 103 -4.561 13.291 -10.334 1.00 73.35 H new ATOM 0 HZ2 LYS A 103 -3.940 13.195 -11.911 1.00 73.35 H new ATOM 0 HZ3 LYS A 103 -5.349 12.341 -11.500 1.00 73.35 H new ATOM 1735 N ASP A 104 -2.686 5.025 -10.920 1.00 73.41 N ATOM 1736 CA ASP A 104 -3.166 3.905 -11.728 1.00 61.32 C ATOM 1737 C ASP A 104 -4.557 4.264 -12.239 1.00 52.51 C ATOM 1738 O ASP A 104 -5.215 5.125 -11.638 1.00 63.04 O ATOM 1739 CB ASP A 104 -3.248 2.611 -10.890 1.00 1.12 C ATOM 1740 CG ASP A 104 -2.342 1.529 -11.467 1.00 50.33 C ATOM 1741 OD1 ASP A 104 -1.122 1.564 -11.203 1.00 70.01 O ATOM 1742 OD2 ASP A 104 -2.855 0.673 -12.222 1.00 71.35 O ATOM 0 H ASP A 104 -2.815 4.874 -9.919 1.00 73.41 H new ATOM 0 HA ASP A 104 -2.475 3.728 -12.552 1.00 61.32 H new ATOM 0 HB2 ASP A 104 -2.959 2.821 -9.860 1.00 1.12 H new ATOM 0 HB3 ASP A 104 -4.277 2.254 -10.866 1.00 1.12 H new ATOM 1747 N GLU A 105 -5.060 3.572 -13.267 1.00 32.42 N ATOM 1748 CA GLU A 105 -6.388 3.834 -13.835 1.00 73.25 C ATOM 1749 C GLU A 105 -7.509 3.576 -12.821 1.00 70.14 C ATOM 1750 O GLU A 105 -8.593 4.150 -12.925 1.00 71.32 O ATOM 1751 CB GLU A 105 -6.602 3.023 -15.126 1.00 2.31 C ATOM 1752 CG GLU A 105 -6.930 1.537 -14.888 1.00 63.34 C ATOM 1753 CD GLU A 105 -7.008 0.718 -16.179 1.00 70.21 C ATOM 1754 OE1 GLU A 105 -7.219 1.298 -17.268 1.00 73.44 O ATOM 1755 OE2 GLU A 105 -6.819 -0.523 -16.116 1.00 3.24 O ATOM 0 H GLU A 105 -4.558 2.814 -13.729 1.00 32.42 H new ATOM 0 HA GLU A 105 -6.430 4.893 -14.089 1.00 73.25 H new ATOM 0 HB2 GLU A 105 -7.413 3.476 -15.697 1.00 2.31 H new ATOM 0 HB3 GLU A 105 -5.703 3.092 -15.739 1.00 2.31 H new ATOM 0 HG2 GLU A 105 -6.170 1.104 -14.237 1.00 63.34 H new ATOM 0 HG3 GLU A 105 -7.881 1.462 -14.361 1.00 63.34 H new ATOM 1762 N ASP A 106 -7.241 2.733 -11.819 1.00 2.41 N ATOM 1763 CA ASP A 106 -8.209 2.409 -10.776 1.00 65.01 C ATOM 1764 C ASP A 106 -8.406 3.642 -9.886 1.00 1.50 C ATOM 1765 O ASP A 106 -9.462 3.810 -9.286 1.00 2.32 O ATOM 1766 CB ASP A 106 -7.697 1.276 -9.867 1.00 51.22 C ATOM 1767 CG ASP A 106 -7.809 -0.157 -10.397 1.00 44.51 C ATOM 1768 OD1 ASP A 106 -7.391 -0.441 -11.539 1.00 24.42 O ATOM 1769 OD2 ASP A 106 -8.163 -1.041 -9.577 1.00 11.32 O ATOM 0 H ASP A 106 -6.345 2.258 -11.711 1.00 2.41 H new ATOM 0 HA ASP A 106 -9.134 2.099 -11.262 1.00 65.01 H new ATOM 0 HB2 ASP A 106 -6.648 1.471 -9.643 1.00 51.22 H new ATOM 0 HB3 ASP A 106 -8.240 1.330 -8.923 1.00 51.22 H new ATOM 1774 N GLY A 107 -7.385 4.501 -9.789 1.00 12.13 N ATOM 1775 CA GLY A 107 -7.338 5.723 -8.985 1.00 25.32 C ATOM 1776 C GLY A 107 -6.534 5.514 -7.694 1.00 61.01 C ATOM 1777 O GLY A 107 -6.448 6.397 -6.838 1.00 73.05 O ATOM 0 H GLY A 107 -6.517 4.350 -10.302 1.00 12.13 H new ATOM 0 HA2 GLY A 107 -6.890 6.527 -9.568 1.00 25.32 H new ATOM 0 HA3 GLY A 107 -8.352 6.036 -8.737 1.00 25.32 H new ATOM 1781 N PHE A 108 -5.934 4.336 -7.550 1.00 13.43 N ATOM 1782 CA PHE A 108 -5.072 3.884 -6.469 1.00 12.30 C ATOM 1783 C PHE A 108 -3.614 4.202 -6.805 1.00 22.24 C ATOM 1784 O PHE A 108 -3.302 4.485 -7.966 1.00 45.31 O ATOM 1785 CB PHE A 108 -5.166 2.356 -6.390 1.00 73.25 C ATOM 1786 CG PHE A 108 -6.268 1.821 -5.520 1.00 50.42 C ATOM 1787 CD1 PHE A 108 -6.268 2.132 -4.152 1.00 63.44 C ATOM 1788 CD2 PHE A 108 -7.253 0.973 -6.053 1.00 25.34 C ATOM 1789 CE1 PHE A 108 -7.276 1.624 -3.325 1.00 25.12 C ATOM 1790 CE2 PHE A 108 -8.250 0.450 -5.220 1.00 12.10 C ATOM 1791 CZ PHE A 108 -8.265 0.781 -3.857 1.00 52.24 C ATOM 0 H PHE A 108 -6.052 3.608 -8.255 1.00 13.43 H new ATOM 0 HA PHE A 108 -5.376 4.370 -5.542 1.00 12.30 H new ATOM 0 HB2 PHE A 108 -5.300 1.965 -7.398 1.00 73.25 H new ATOM 0 HB3 PHE A 108 -4.216 1.969 -6.022 1.00 73.25 H new ATOM 0 HD1 PHE A 108 -5.493 2.761 -3.739 1.00 63.44 H new ATOM 0 HD2 PHE A 108 -7.241 0.725 -7.104 1.00 25.34 H new ATOM 0 HE1 PHE A 108 -7.293 1.881 -2.276 1.00 25.12 H new ATOM 0 HE2 PHE A 108 -9.005 -0.206 -5.626 1.00 12.10 H new ATOM 0 HZ PHE A 108 -9.039 0.387 -3.215 1.00 52.24 H new ATOM 1801 N LEU A 109 -2.736 4.203 -5.801 1.00 24.32 N ATOM 1802 CA LEU A 109 -1.293 4.397 -5.990 1.00 51.25 C ATOM 1803 C LEU A 109 -0.686 3.000 -5.790 1.00 42.52 C ATOM 1804 O LEU A 109 -1.029 2.368 -4.788 1.00 73.05 O ATOM 1805 CB LEU A 109 -0.750 5.422 -4.990 1.00 24.40 C ATOM 1806 CG LEU A 109 0.780 5.591 -5.054 1.00 4.43 C ATOM 1807 CD1 LEU A 109 1.293 5.911 -6.462 1.00 52.51 C ATOM 1808 CD2 LEU A 109 1.172 6.707 -4.079 1.00 54.22 C ATOM 0 H LEU A 109 -3.005 4.069 -4.826 1.00 24.32 H new ATOM 0 HA LEU A 109 -1.042 4.798 -6.972 1.00 51.25 H new ATOM 0 HB2 LEU A 109 -1.222 6.386 -5.177 1.00 24.40 H new ATOM 0 HB3 LEU A 109 -1.032 5.119 -3.982 1.00 24.40 H new ATOM 0 HG LEU A 109 1.241 4.643 -4.777 1.00 4.43 H new ATOM 0 HD11 LEU A 109 2.378 6.018 -6.439 1.00 52.51 H new ATOM 0 HD12 LEU A 109 1.023 5.102 -7.140 1.00 52.51 H new ATOM 0 HD13 LEU A 109 0.844 6.841 -6.810 1.00 52.51 H new ATOM 0 HD21 LEU A 109 2.252 6.849 -4.104 1.00 54.22 H new ATOM 0 HD22 LEU A 109 0.678 7.634 -4.369 1.00 54.22 H new ATOM 0 HD23 LEU A 109 0.865 6.433 -3.070 1.00 54.22 H new ATOM 1820 N TYR A 110 0.165 2.476 -6.675 1.00 73.05 N ATOM 1821 CA TYR A 110 0.745 1.135 -6.528 1.00 5.53 C ATOM 1822 C TYR A 110 2.209 1.183 -6.081 1.00 72.34 C ATOM 1823 O TYR A 110 2.982 2.055 -6.467 1.00 51.32 O ATOM 1824 CB TYR A 110 0.658 0.363 -7.857 1.00 4.12 C ATOM 1825 CG TYR A 110 -0.700 -0.154 -8.317 1.00 5.24 C ATOM 1826 CD1 TYR A 110 -1.918 0.375 -7.844 1.00 72.01 C ATOM 1827 CD2 TYR A 110 -0.730 -1.161 -9.301 1.00 3.22 C ATOM 1828 CE1 TYR A 110 -3.135 -0.046 -8.395 1.00 32.30 C ATOM 1829 CE2 TYR A 110 -1.947 -1.577 -9.869 1.00 63.23 C ATOM 1830 CZ TYR A 110 -3.151 -0.986 -9.438 1.00 70.12 C ATOM 1831 OH TYR A 110 -4.347 -1.347 -9.968 1.00 3.22 O ATOM 0 H TYR A 110 0.473 2.967 -7.514 1.00 73.05 H new ATOM 0 HA TYR A 110 0.166 0.626 -5.757 1.00 5.53 H new ATOM 0 HB2 TYR A 110 1.048 1.011 -8.642 1.00 4.12 H new ATOM 0 HB3 TYR A 110 1.330 -0.492 -7.787 1.00 4.12 H new ATOM 0 HD1 TYR A 110 -1.913 1.109 -7.052 1.00 72.01 H new ATOM 0 HD2 TYR A 110 0.193 -1.619 -9.623 1.00 3.22 H new ATOM 0 HE1 TYR A 110 -4.064 0.354 -8.016 1.00 32.30 H new ATOM 0 HE2 TYR A 110 -1.959 -2.344 -10.630 1.00 63.23 H new ATOM 0 HH TYR A 110 -4.199 -1.848 -10.797 1.00 3.22 H new ATOM 1841 N MET A 111 2.624 0.220 -5.258 1.00 45.24 N ATOM 1842 CA MET A 111 3.983 0.088 -4.757 1.00 43.23 C ATOM 1843 C MET A 111 4.301 -1.387 -4.525 1.00 5.21 C ATOM 1844 O MET A 111 3.410 -2.227 -4.350 1.00 5.22 O ATOM 1845 CB MET A 111 4.173 0.852 -3.441 1.00 44.32 C ATOM 1846 CG MET A 111 3.840 2.343 -3.520 1.00 1.11 C ATOM 1847 SD MET A 111 4.225 3.241 -1.999 1.00 65.23 S ATOM 1848 CE MET A 111 3.897 4.925 -2.582 1.00 24.23 C ATOM 0 H MET A 111 2.001 -0.510 -4.914 1.00 45.24 H new ATOM 0 HA MET A 111 4.657 0.510 -5.502 1.00 43.23 H new ATOM 0 HB2 MET A 111 3.548 0.393 -2.675 1.00 44.32 H new ATOM 0 HB3 MET A 111 5.208 0.740 -3.117 1.00 44.32 H new ATOM 0 HG2 MET A 111 4.393 2.789 -4.347 1.00 1.11 H new ATOM 0 HG3 MET A 111 2.780 2.460 -3.745 1.00 1.11 H new ATOM 0 HE1 MET A 111 4.386 5.641 -1.921 1.00 24.23 H new ATOM 0 HE2 MET A 111 4.285 5.042 -3.594 1.00 24.23 H new ATOM 0 HE3 MET A 111 2.822 5.107 -2.582 1.00 24.23 H new ATOM 1858 N VAL A 112 5.582 -1.727 -4.580 1.00 14.22 N ATOM 1859 CA VAL A 112 6.085 -3.075 -4.341 1.00 25.10 C ATOM 1860 C VAL A 112 7.367 -2.951 -3.509 1.00 45.35 C ATOM 1861 O VAL A 112 8.029 -1.919 -3.621 1.00 43.21 O ATOM 1862 CB VAL A 112 6.242 -3.887 -5.649 1.00 61.15 C ATOM 1863 CG1 VAL A 112 5.037 -4.804 -5.899 1.00 12.32 C ATOM 1864 CG2 VAL A 112 6.415 -3.014 -6.900 1.00 10.21 C ATOM 0 H VAL A 112 6.319 -1.057 -4.797 1.00 14.22 H new ATOM 0 HA VAL A 112 5.363 -3.661 -3.772 1.00 25.10 H new ATOM 0 HB VAL A 112 7.150 -4.469 -5.493 1.00 61.15 H new ATOM 0 HG11 VAL A 112 5.186 -5.356 -6.827 1.00 12.32 H new ATOM 0 HG12 VAL A 112 4.936 -5.506 -5.071 1.00 12.32 H new ATOM 0 HG13 VAL A 112 4.132 -4.202 -5.977 1.00 12.32 H new ATOM 0 HG21 VAL A 112 6.519 -3.652 -7.777 1.00 10.21 H new ATOM 0 HG22 VAL A 112 5.542 -2.372 -7.019 1.00 10.21 H new ATOM 0 HG23 VAL A 112 7.307 -2.397 -6.792 1.00 10.21 H new ATOM 1874 N TYR A 113 7.745 -3.954 -2.708 1.00 22.43 N ATOM 1875 CA TYR A 113 8.973 -3.898 -1.895 1.00 13.24 C ATOM 1876 C TYR A 113 9.800 -5.170 -1.993 1.00 11.22 C ATOM 1877 O TYR A 113 9.241 -6.254 -2.198 1.00 65.25 O ATOM 1878 CB TYR A 113 8.659 -3.648 -0.414 1.00 24.30 C ATOM 1879 CG TYR A 113 7.838 -4.728 0.262 1.00 2.11 C ATOM 1880 CD1 TYR A 113 6.440 -4.678 0.168 1.00 74.22 C ATOM 1881 CD2 TYR A 113 8.455 -5.781 0.967 1.00 41.24 C ATOM 1882 CE1 TYR A 113 5.651 -5.663 0.778 1.00 14.24 C ATOM 1883 CE2 TYR A 113 7.669 -6.772 1.583 1.00 32.12 C ATOM 1884 CZ TYR A 113 6.261 -6.718 1.488 1.00 71.25 C ATOM 1885 OH TYR A 113 5.504 -7.679 2.076 1.00 71.31 O ATOM 0 H TYR A 113 7.217 -4.820 -2.603 1.00 22.43 H new ATOM 0 HA TYR A 113 9.549 -3.067 -2.302 1.00 13.24 H new ATOM 0 HB2 TYR A 113 9.599 -3.536 0.127 1.00 24.30 H new ATOM 0 HB3 TYR A 113 8.127 -2.701 -0.327 1.00 24.30 H new ATOM 0 HD1 TYR A 113 5.968 -3.875 -0.378 1.00 74.22 H new ATOM 0 HD2 TYR A 113 9.532 -5.827 1.034 1.00 41.24 H new ATOM 0 HE1 TYR A 113 4.575 -5.614 0.704 1.00 14.24 H new ATOM 0 HE2 TYR A 113 8.143 -7.575 2.129 1.00 32.12 H new ATOM 0 HH TYR A 113 6.025 -8.121 2.779 1.00 71.31 H new ATOM 1895 N ALA A 114 11.121 -5.020 -1.847 1.00 23.20 N ATOM 1896 CA ALA A 114 12.074 -6.125 -1.874 1.00 63.25 C ATOM 1897 C ALA A 114 13.422 -5.673 -1.305 1.00 22.02 C ATOM 1898 O ALA A 114 13.734 -4.479 -1.268 1.00 42.22 O ATOM 1899 CB ALA A 114 12.309 -6.591 -3.318 1.00 61.11 C ATOM 0 H ALA A 114 11.561 -4.111 -1.705 1.00 23.20 H new ATOM 0 HA ALA A 114 11.661 -6.938 -1.277 1.00 63.25 H new ATOM 0 HB1 ALA A 114 13.022 -7.416 -3.323 1.00 61.11 H new ATOM 0 HB2 ALA A 114 11.366 -6.924 -3.751 1.00 61.11 H new ATOM 0 HB3 ALA A 114 12.706 -5.764 -3.907 1.00 61.11 H new ATOM 1905 N SER A 115 14.261 -6.635 -0.930 1.00 43.14 N ATOM 1906 CA SER A 115 15.596 -6.425 -0.401 1.00 10.50 C ATOM 1907 C SER A 115 16.555 -6.574 -1.582 1.00 31.43 C ATOM 1908 O SER A 115 17.179 -7.625 -1.762 1.00 21.31 O ATOM 1909 CB SER A 115 15.910 -7.408 0.739 1.00 61.21 C ATOM 1910 OG SER A 115 17.208 -7.119 1.232 1.00 72.22 O ATOM 0 H SER A 115 14.014 -7.623 -0.991 1.00 43.14 H new ATOM 0 HA SER A 115 15.695 -5.435 0.044 1.00 10.50 H new ATOM 0 HB2 SER A 115 15.172 -7.314 1.535 1.00 61.21 H new ATOM 0 HB3 SER A 115 15.861 -8.436 0.379 1.00 61.21 H new ATOM 0 HG SER A 115 17.150 -6.419 1.916 1.00 72.22 H new ATOM 1916 N GLN A 116 16.649 -5.525 -2.392 1.00 74.02 N ATOM 1917 CA GLN A 116 17.490 -5.388 -3.571 1.00 3.21 C ATOM 1918 C GLN A 116 17.365 -3.930 -3.980 1.00 50.31 C ATOM 1919 O GLN A 116 16.275 -3.365 -3.849 1.00 62.22 O ATOM 1920 CB GLN A 116 16.983 -6.267 -4.732 1.00 73.24 C ATOM 1921 CG GLN A 116 17.931 -7.433 -5.023 1.00 4.30 C ATOM 1922 CD GLN A 116 17.418 -8.279 -6.177 1.00 54.11 C ATOM 1923 OE1 GLN A 116 16.969 -9.409 -5.990 1.00 30.11 O ATOM 1924 NE2 GLN A 116 17.437 -7.774 -7.393 1.00 44.41 N ATOM 0 H GLN A 116 16.095 -4.684 -2.226 1.00 74.02 H new ATOM 0 HA GLN A 116 18.513 -5.693 -3.352 1.00 3.21 H new ATOM 0 HB2 GLN A 116 15.994 -6.656 -4.488 1.00 73.24 H new ATOM 0 HB3 GLN A 116 16.873 -5.656 -5.628 1.00 73.24 H new ATOM 0 HG2 GLN A 116 18.923 -7.049 -5.262 1.00 4.30 H new ATOM 0 HG3 GLN A 116 18.035 -8.052 -4.132 1.00 4.30 H new ATOM 0 HE21 GLN A 116 17.809 -6.837 -7.550 1.00 44.41 H new ATOM 0 HE22 GLN A 116 17.080 -8.320 -8.177 1.00 44.41 H new ATOM 1933 N GLU A 117 18.431 -3.331 -4.496 1.00 12.33 N ATOM 1934 CA GLU A 117 18.373 -1.944 -4.928 1.00 53.34 C ATOM 1935 C GLU A 117 17.934 -1.869 -6.395 1.00 13.54 C ATOM 1936 O GLU A 117 17.274 -0.905 -6.782 1.00 30.14 O ATOM 1937 CB GLU A 117 19.719 -1.271 -4.687 1.00 22.41 C ATOM 1938 CG GLU A 117 19.613 0.241 -4.925 1.00 30.32 C ATOM 1939 CD GLU A 117 20.899 0.955 -4.515 1.00 14.22 C ATOM 1940 OE1 GLU A 117 21.993 0.507 -4.928 1.00 52.11 O ATOM 1941 OE2 GLU A 117 20.822 1.954 -3.766 1.00 64.22 O ATOM 0 H GLU A 117 19.338 -3.781 -4.624 1.00 12.33 H new ATOM 0 HA GLU A 117 17.630 -1.403 -4.342 1.00 53.34 H new ATOM 0 HB2 GLU A 117 20.050 -1.462 -3.666 1.00 22.41 H new ATOM 0 HB3 GLU A 117 20.470 -1.698 -5.351 1.00 22.41 H new ATOM 0 HG2 GLU A 117 19.407 0.433 -5.978 1.00 30.32 H new ATOM 0 HG3 GLU A 117 18.774 0.643 -4.358 1.00 30.32 H new ATOM 1948 N THR A 118 18.219 -2.885 -7.211 1.00 1.44 N ATOM 1949 CA THR A 118 17.840 -2.932 -8.617 1.00 65.31 C ATOM 1950 C THR A 118 17.503 -4.374 -8.976 1.00 30.04 C ATOM 1951 O THR A 118 18.176 -5.302 -8.513 1.00 10.34 O ATOM 1952 CB THR A 118 18.944 -2.315 -9.500 1.00 21.10 C ATOM 1953 OG1 THR A 118 18.609 -2.384 -10.876 1.00 33.03 O ATOM 1954 CG2 THR A 118 20.340 -2.918 -9.332 1.00 21.14 C ATOM 0 H THR A 118 18.730 -3.713 -6.903 1.00 1.44 H new ATOM 0 HA THR A 118 16.952 -2.327 -8.802 1.00 65.31 H new ATOM 0 HB THR A 118 18.992 -1.285 -9.148 1.00 21.10 H new ATOM 0 HG1 THR A 118 19.328 -1.983 -11.408 1.00 33.03 H new ATOM 0 HG21 THR A 118 21.038 -2.411 -9.999 1.00 21.14 H new ATOM 0 HG22 THR A 118 20.668 -2.793 -8.300 1.00 21.14 H new ATOM 0 HG23 THR A 118 20.310 -3.980 -9.577 1.00 21.14 H new ATOM 1962 N PHE A 119 16.429 -4.553 -9.744 1.00 64.24 N ATOM 1963 CA PHE A 119 15.980 -5.855 -10.211 1.00 50.24 C ATOM 1964 C PHE A 119 16.874 -6.284 -11.359 1.00 74.41 C ATOM 1965 O PHE A 119 17.460 -5.406 -12.033 1.00 13.42 O ATOM 1966 CB PHE A 119 14.510 -5.796 -10.652 1.00 45.51 C ATOM 1967 CG PHE A 119 13.501 -5.694 -9.521 1.00 71.01 C ATOM 1968 CD1 PHE A 119 13.672 -6.410 -8.317 1.00 74.15 C ATOM 1969 CD2 PHE A 119 12.372 -4.869 -9.675 1.00 24.40 C ATOM 1970 CE1 PHE A 119 12.749 -6.265 -7.270 1.00 52.43 C ATOM 1971 CE2 PHE A 119 11.440 -4.739 -8.633 1.00 70.43 C ATOM 1972 CZ PHE A 119 11.635 -5.427 -7.423 1.00 11.43 C ATOM 0 H PHE A 119 15.840 -3.783 -10.062 1.00 64.24 H new ATOM 0 HA PHE A 119 16.046 -6.583 -9.403 1.00 50.24 H new ATOM 0 HB2 PHE A 119 14.379 -4.939 -11.313 1.00 45.51 H new ATOM 0 HB3 PHE A 119 14.287 -6.688 -11.238 1.00 45.51 H new ATOM 0 HD1 PHE A 119 14.517 -7.072 -8.201 1.00 74.15 H new ATOM 0 HD2 PHE A 119 12.221 -4.333 -10.600 1.00 24.40 H new ATOM 0 HE1 PHE A 119 12.897 -6.800 -6.344 1.00 52.43 H new ATOM 0 HE2 PHE A 119 10.572 -4.109 -8.761 1.00 70.43 H new ATOM 0 HZ PHE A 119 10.929 -5.311 -6.614 1.00 11.43 H new ATOM 2101 N PHE B 178 -7.947 -2.308 4.297 1.00 52.31 N ATOM 2102 CA PHE B 178 -7.112 -1.113 4.374 1.00 22.13 C ATOM 2103 C PHE B 178 -6.521 -0.928 5.769 1.00 25.20 C ATOM 2104 O PHE B 178 -7.240 -1.035 6.763 1.00 73.34 O ATOM 2105 CB PHE B 178 -7.949 0.129 4.042 1.00 70.32 C ATOM 2106 CG PHE B 178 -8.191 0.371 2.567 1.00 32.10 C ATOM 2107 CD1 PHE B 178 -7.152 0.791 1.716 1.00 64.14 C ATOM 2108 CD2 PHE B 178 -9.484 0.219 2.049 1.00 25.40 C ATOM 2109 CE1 PHE B 178 -7.411 1.047 0.359 1.00 50.31 C ATOM 2110 CE2 PHE B 178 -9.747 0.460 0.695 1.00 14.03 C ATOM 2111 CZ PHE B 178 -8.714 0.892 -0.145 1.00 24.31 C ATOM 0 HA PHE B 178 -6.300 -1.238 3.657 1.00 22.13 H new ATOM 0 HB2 PHE B 178 -8.914 0.041 4.542 1.00 70.32 H new ATOM 0 HB3 PHE B 178 -7.452 1.004 4.460 1.00 70.32 H new ATOM 0 HD1 PHE B 178 -6.153 0.917 2.107 1.00 64.14 H new ATOM 0 HD2 PHE B 178 -10.288 -0.088 2.702 1.00 25.40 H new ATOM 0 HE1 PHE B 178 -6.611 1.362 -0.295 1.00 50.31 H new ATOM 0 HE2 PHE B 178 -10.742 0.313 0.301 1.00 14.03 H new ATOM 0 HZ PHE B 178 -8.919 1.107 -1.183 1.00 24.31 H new ATOM 2121 N VAL B 179 -5.234 -0.565 5.839 1.00 72.25 N ATOM 2122 CA VAL B 179 -4.536 -0.332 7.095 1.00 25.14 C ATOM 2123 C VAL B 179 -3.800 1.012 7.084 1.00 30.34 C ATOM 2124 O VAL B 179 -2.780 1.203 6.417 1.00 73.51 O ATOM 2125 CB VAL B 179 -3.705 -1.566 7.510 1.00 14.14 C ATOM 2126 CG1 VAL B 179 -2.599 -2.008 6.550 1.00 1.43 C ATOM 2127 CG2 VAL B 179 -3.093 -1.389 8.906 1.00 13.00 C ATOM 0 H VAL B 179 -4.649 -0.425 5.015 1.00 72.25 H new ATOM 0 HA VAL B 179 -5.260 -0.222 7.903 1.00 25.14 H new ATOM 0 HB VAL B 179 -4.449 -2.363 7.493 1.00 14.14 H new ATOM 0 HG11 VAL B 179 -2.092 -2.883 6.957 1.00 1.43 H new ATOM 0 HG12 VAL B 179 -3.035 -2.259 5.583 1.00 1.43 H new ATOM 0 HG13 VAL B 179 -1.881 -1.198 6.425 1.00 1.43 H new ATOM 0 HG21 VAL B 179 -2.515 -2.276 9.165 1.00 13.00 H new ATOM 0 HG22 VAL B 179 -2.439 -0.517 8.909 1.00 13.00 H new ATOM 0 HG23 VAL B 179 -3.889 -1.248 9.637 1.00 13.00 H new ATOM 2137 N GLU B 180 -4.354 1.995 7.794 1.00 41.21 N ATOM 2138 CA GLU B 180 -3.762 3.318 7.916 1.00 25.40 C ATOM 2139 C GLU B 180 -2.428 3.238 8.664 1.00 71.42 C ATOM 2140 O GLU B 180 -2.203 2.359 9.503 1.00 23.12 O ATOM 2141 CB GLU B 180 -4.687 4.269 8.682 1.00 5.44 C ATOM 2142 CG GLU B 180 -6.070 4.508 8.068 1.00 63.53 C ATOM 2143 CD GLU B 180 -6.898 5.348 9.028 1.00 42.11 C ATOM 2144 OE1 GLU B 180 -6.492 6.511 9.274 1.00 51.02 O ATOM 2145 OE2 GLU B 180 -7.886 4.859 9.610 1.00 14.34 O ATOM 0 H GLU B 180 -5.232 1.890 8.302 1.00 41.21 H new ATOM 0 HA GLU B 180 -3.606 3.699 6.907 1.00 25.40 H new ATOM 0 HB2 GLU B 180 -4.823 3.877 9.690 1.00 5.44 H new ATOM 0 HB3 GLU B 180 -4.184 5.231 8.779 1.00 5.44 H new ATOM 0 HG2 GLU B 180 -5.974 5.017 7.109 1.00 63.53 H new ATOM 0 HG3 GLU B 180 -6.566 3.557 7.875 1.00 63.53 H new ATOM 2152 N ILE B 181 -1.563 4.217 8.410 1.00 4.22 N ATOM 2153 CA ILE B 181 -0.253 4.314 9.036 1.00 31.04 C ATOM 2154 C ILE B 181 -0.435 4.843 10.463 1.00 71.51 C ATOM 2155 O ILE B 181 -1.326 5.655 10.733 1.00 10.10 O ATOM 2156 CB ILE B 181 0.608 5.238 8.143 1.00 43.15 C ATOM 2157 CG1 ILE B 181 1.390 4.311 7.192 1.00 53.13 C ATOM 2158 CG2 ILE B 181 1.538 6.225 8.872 1.00 51.31 C ATOM 2159 CD1 ILE B 181 2.150 5.115 6.154 1.00 21.02 C ATOM 0 H ILE B 181 -1.758 4.974 7.754 1.00 4.22 H new ATOM 0 HA ILE B 181 0.254 3.353 9.120 1.00 31.04 H new ATOM 0 HB ILE B 181 -0.065 5.915 7.617 1.00 43.15 H new ATOM 0 HG12 ILE B 181 2.087 3.700 7.765 1.00 53.13 H new ATOM 0 HG13 ILE B 181 0.701 3.628 6.695 1.00 53.13 H new ATOM 0 HG21 ILE B 181 2.088 6.816 8.139 1.00 51.31 H new ATOM 0 HG22 ILE B 181 0.944 6.888 9.501 1.00 51.31 H new ATOM 0 HG23 ILE B 181 2.242 5.671 9.493 1.00 51.31 H new ATOM 0 HD11 ILE B 181 2.693 4.438 5.495 1.00 21.02 H new ATOM 0 HD12 ILE B 181 1.448 5.707 5.567 1.00 21.02 H new ATOM 0 HD13 ILE B 181 2.855 5.779 6.653 1.00 21.02 H new ATOM 2171 N ARG B 182 0.374 4.359 11.408 1.00 62.05 N ATOM 2172 CA ARG B 182 0.284 4.832 12.784 1.00 72.22 C ATOM 2173 C ARG B 182 1.027 6.155 12.869 1.00 4.13 C ATOM 2174 O ARG B 182 2.078 6.309 12.254 1.00 32.21 O ATOM 2175 CB ARG B 182 0.846 3.810 13.775 1.00 21.54 C ATOM 2176 CG ARG B 182 -0.120 3.580 14.947 1.00 43.31 C ATOM 2177 CD ARG B 182 -1.346 2.760 14.538 1.00 24.14 C ATOM 2178 NE ARG B 182 -2.188 2.466 15.705 1.00 3.02 N ATOM 2179 CZ ARG B 182 -3.306 3.094 16.082 1.00 73.24 C ATOM 2180 NH1 ARG B 182 -3.810 4.107 15.390 1.00 1.42 N ATOM 2181 NH2 ARG B 182 -3.933 2.676 17.168 1.00 71.55 N ATOM 0 H ARG B 182 1.089 3.649 11.246 1.00 62.05 H new ATOM 0 HA ARG B 182 -0.762 4.971 13.058 1.00 72.22 H new ATOM 0 HB2 ARG B 182 1.030 2.866 13.262 1.00 21.54 H new ATOM 0 HB3 ARG B 182 1.806 4.159 14.155 1.00 21.54 H new ATOM 0 HG2 ARG B 182 0.405 3.067 15.752 1.00 43.31 H new ATOM 0 HG3 ARG B 182 -0.445 4.543 15.341 1.00 43.31 H new ATOM 0 HD2 ARG B 182 -1.925 3.308 13.795 1.00 24.14 H new ATOM 0 HD3 ARG B 182 -1.027 1.829 14.070 1.00 24.14 H new ATOM 0 HE ARG B 182 -1.884 1.693 16.297 1.00 3.02 H new ATOM 0 HH11 ARG B 182 -3.342 4.428 14.542 1.00 1.42 H new ATOM 0 HH12 ARG B 182 -4.665 4.565 15.705 1.00 1.42 H new ATOM 0 HH21 ARG B 182 -3.562 1.889 17.700 1.00 71.55 H new ATOM 0 HH22 ARG B 182 -4.788 3.141 17.474 1.00 71.55 H new