USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1101 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: B 58 SER OG : rot -3:sc= 0.16 USER MOD Set 1.2: B 67 LYS NZ :NH3+ -165:sc= 0.0042 (180deg=-0.116) USER MOD Set 2.1: B 27 GLN : amide:sc= 0.447 K(o=1.1,f=-2.4!) USER MOD Set 2.2: B 31 LYS NZ :NH3+ -173:sc= 0.622 (180deg=0.439) USER MOD Set 3.1: B 26 THR OG1 : rot 180:sc= 0.283 USER MOD Set 3.2: B 29 GLN : amide:sc= -0.753 K(o=-0.47,f=0.58) USER MOD Single : A 5 LYS NZ :NH3+ -127:sc= -0.136 (180deg=-0.61) USER MOD Single : A 7 LYS NZ :NH3+ 178:sc= 0.838 (180deg=0.834) USER MOD Single : A 14 GLN : amide:sc= -1.41 K(o=-1.4,f=-2.2!) USER MOD Single : A 20 ASN : amide:sc= 0.0681 X(o=0.068,f=-0.35) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0205 USER MOD Single : A 27 GLN : amide:sc= 0.00217 K(o=0.0022,f=-2.4!) USER MOD Single : A 28 LYS NZ :NH3+ -166:sc= -0.0238 (180deg=-0.235) USER MOD Single : A 29 GLN : amide:sc= -0.117 K(o=-0.12,f=-3.1!) USER MOD Single : A 31 LYS NZ :NH3+ 156:sc= 0.704 (180deg=-0.176!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -67:sc= 0.672 USER MOD Single : A 35 LYS NZ :NH3+ -161:sc= 1.01 (180deg=0.726) USER MOD Single : A 37 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.041) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= -0.107 (180deg=-0.107) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0675 USER MOD Single : A 67 LYS NZ :NH3+ -176:sc= -0.0375 (180deg=-0.0585) USER MOD Single : B 3 MET CE :methyl -128:sc= -0.102 (180deg=-1.43!) USER MOD Single : B 5 LYS NZ :NH3+ 148:sc= 0.802 (180deg=0.254) USER MOD Single : B 7 LYS NZ :NH3+ 165:sc= 0.56 (180deg=0.431) USER MOD Single : B 14 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : B 20 ASN : amide:sc= 0.15 X(o=0.15,f=-0.32) USER MOD Single : B 22 THR OG1 : rot 144:sc= 0.203 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0394) USER MOD Single : B 34 THR OG1 : rot -69:sc= -0.443! USER MOD Single : B 35 LYS NZ :NH3+ -150:sc= -0.892 (180deg=-2.12!) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 THR OG1 : rot 23:sc= -0.381 USER MOD ----------------------------------------------------------------- ATOM 59 N LEU A 4 3.717 11.791 1.830 1.00 74.12 N ATOM 60 CA LEU A 4 2.898 10.555 1.995 1.00 32.22 C ATOM 61 C LEU A 4 3.752 9.272 1.762 1.00 20.40 C ATOM 62 O LEU A 4 3.378 8.175 2.178 1.00 50.13 O ATOM 63 CB LEU A 4 1.637 10.575 1.077 1.00 34.52 C ATOM 64 CG LEU A 4 0.445 11.492 1.528 1.00 12.55 C ATOM 65 CD1 LEU A 4 0.851 12.980 1.639 1.00 44.30 C ATOM 66 CD2 LEU A 4 -0.769 11.316 0.582 1.00 55.25 C ATOM 0 HA LEU A 4 2.547 10.533 3.027 1.00 32.22 H new ATOM 0 HB2 LEU A 4 1.948 10.888 0.080 1.00 34.52 H new ATOM 0 HB3 LEU A 4 1.265 9.554 0.989 1.00 34.52 H new ATOM 0 HG LEU A 4 0.157 11.171 2.529 1.00 12.55 H new ATOM 0 HD11 LEU A 4 -0.010 13.570 1.954 1.00 44.30 H new ATOM 0 HD12 LEU A 4 1.651 13.085 2.372 1.00 44.30 H new ATOM 0 HD13 LEU A 4 1.199 13.336 0.669 1.00 44.30 H new ATOM 0 HD21 LEU A 4 -1.584 11.960 0.912 1.00 55.25 H new ATOM 0 HD22 LEU A 4 -0.481 11.587 -0.434 1.00 55.25 H new ATOM 0 HD23 LEU A 4 -1.097 10.277 0.601 1.00 55.25 H new ATOM 78 N LYS A 5 4.896 9.448 1.086 1.00 70.45 N ATOM 79 CA LYS A 5 5.925 8.405 0.904 1.00 32.23 C ATOM 80 C LYS A 5 6.731 8.192 2.214 1.00 21.01 C ATOM 81 O LYS A 5 6.955 7.057 2.649 1.00 12.03 O ATOM 82 CB LYS A 5 6.871 8.846 -0.249 1.00 22.35 C ATOM 83 CG LYS A 5 8.043 7.883 -0.536 1.00 24.22 C ATOM 84 CD LYS A 5 9.007 8.413 -1.624 1.00 0.32 C ATOM 85 CE LYS A 5 10.278 7.554 -1.751 1.00 50.13 C ATOM 86 NZ LYS A 5 11.038 7.481 -0.471 1.00 72.15 N ATOM 0 H LYS A 5 5.140 10.333 0.641 1.00 70.45 H new ATOM 0 HA LYS A 5 5.447 7.458 0.654 1.00 32.23 H new ATOM 0 HB2 LYS A 5 6.282 8.959 -1.159 1.00 22.35 H new ATOM 0 HB3 LYS A 5 7.278 9.828 -0.009 1.00 22.35 H new ATOM 0 HG2 LYS A 5 8.601 7.714 0.385 1.00 24.22 H new ATOM 0 HG3 LYS A 5 7.645 6.918 -0.850 1.00 24.22 H new ATOM 0 HD2 LYS A 5 8.490 8.436 -2.583 1.00 0.32 H new ATOM 0 HD3 LYS A 5 9.288 9.440 -1.388 1.00 0.32 H new ATOM 0 HE2 LYS A 5 10.004 6.547 -2.067 1.00 50.13 H new ATOM 0 HE3 LYS A 5 10.919 7.969 -2.529 1.00 50.13 H new ATOM 0 HZ1 LYS A 5 12.027 7.755 -0.638 1.00 72.15 H new ATOM 0 HZ2 LYS A 5 10.612 8.128 0.223 1.00 72.15 H new ATOM 0 HZ3 LYS A 5 11.006 6.509 -0.103 1.00 72.15 H new ATOM 100 N GLU A 6 7.139 9.316 2.837 1.00 42.32 N ATOM 101 CA GLU A 6 8.028 9.308 4.024 1.00 43.43 C ATOM 102 C GLU A 6 7.297 8.803 5.289 1.00 4.32 C ATOM 103 O GLU A 6 7.860 8.029 6.072 1.00 45.12 O ATOM 104 CB GLU A 6 8.629 10.721 4.263 1.00 63.14 C ATOM 105 CG GLU A 6 9.364 11.324 3.040 1.00 20.54 C ATOM 106 CD GLU A 6 10.431 10.392 2.419 1.00 34.50 C ATOM 107 OE1 GLU A 6 11.527 10.262 2.996 1.00 64.13 O ATOM 108 OE2 GLU A 6 10.173 9.783 1.355 1.00 13.44 O ATOM 0 H GLU A 6 6.865 10.251 2.536 1.00 42.32 H new ATOM 0 HA GLU A 6 8.841 8.611 3.820 1.00 43.43 H new ATOM 0 HB2 GLU A 6 7.827 11.397 4.558 1.00 63.14 H new ATOM 0 HB3 GLU A 6 9.326 10.668 5.100 1.00 63.14 H new ATOM 0 HG2 GLU A 6 8.628 11.576 2.276 1.00 20.54 H new ATOM 0 HG3 GLU A 6 9.843 12.256 3.341 1.00 20.54 H new ATOM 115 N LYS A 7 6.032 9.238 5.468 1.00 62.54 N ATOM 116 CA LYS A 7 5.168 8.755 6.576 1.00 71.25 C ATOM 117 C LYS A 7 4.940 7.230 6.486 1.00 15.42 C ATOM 118 O LYS A 7 4.885 6.559 7.502 1.00 14.52 O ATOM 119 CB LYS A 7 3.796 9.467 6.574 1.00 11.51 C ATOM 120 CG LYS A 7 2.978 9.194 5.295 1.00 54.32 C ATOM 121 CD LYS A 7 1.495 9.548 5.398 1.00 41.05 C ATOM 122 CE LYS A 7 0.741 8.678 6.413 1.00 52.20 C ATOM 123 NZ LYS A 7 -0.707 8.979 6.431 1.00 55.03 N ATOM 0 H LYS A 7 5.582 9.923 4.861 1.00 62.54 H new ATOM 0 HA LYS A 7 5.691 8.987 7.504 1.00 71.25 H new ATOM 0 HB2 LYS A 7 3.223 9.142 7.442 1.00 11.51 H new ATOM 0 HB3 LYS A 7 3.950 10.541 6.678 1.00 11.51 H new ATOM 0 HG2 LYS A 7 3.416 9.759 4.472 1.00 54.32 H new ATOM 0 HG3 LYS A 7 3.069 8.138 5.040 1.00 54.32 H new ATOM 0 HD2 LYS A 7 1.396 10.596 5.681 1.00 41.05 H new ATOM 0 HD3 LYS A 7 1.032 9.438 4.418 1.00 41.05 H new ATOM 0 HE2 LYS A 7 0.890 7.626 6.170 1.00 52.20 H new ATOM 0 HE3 LYS A 7 1.157 8.838 7.408 1.00 52.20 H new ATOM 0 HZ1 LYS A 7 -1.185 8.347 7.105 1.00 55.03 H new ATOM 0 HZ2 LYS A 7 -0.853 9.967 6.720 1.00 55.03 H new ATOM 0 HZ3 LYS A 7 -1.103 8.835 5.480 1.00 55.03 H new ATOM 137 N ALA A 8 4.803 6.714 5.240 1.00 60.00 N ATOM 138 CA ALA A 8 4.581 5.278 4.968 1.00 44.13 C ATOM 139 C ALA A 8 5.767 4.431 5.482 1.00 61.43 C ATOM 140 O ALA A 8 5.597 3.290 5.927 1.00 32.11 O ATOM 141 CB ALA A 8 4.363 5.059 3.461 1.00 60.54 C ATOM 0 H ALA A 8 4.844 7.285 4.396 1.00 60.00 H new ATOM 0 HA ALA A 8 3.687 4.954 5.501 1.00 44.13 H new ATOM 0 HB1 ALA A 8 4.200 3.999 3.267 1.00 60.54 H new ATOM 0 HB2 ALA A 8 3.492 5.626 3.133 1.00 60.54 H new ATOM 0 HB3 ALA A 8 5.243 5.397 2.913 1.00 60.54 H new ATOM 147 N GLY A 9 6.968 5.040 5.425 1.00 42.42 N ATOM 148 CA GLY A 9 8.194 4.446 5.977 1.00 23.33 C ATOM 149 C GLY A 9 8.233 4.450 7.514 1.00 44.12 C ATOM 150 O GLY A 9 8.744 3.509 8.138 1.00 54.32 O ATOM 0 H GLY A 9 7.112 5.954 4.996 1.00 42.42 H new ATOM 0 HA2 GLY A 9 8.284 3.420 5.621 1.00 23.33 H new ATOM 0 HA3 GLY A 9 9.057 4.993 5.597 1.00 23.33 H new ATOM 154 N ALA A 10 7.700 5.527 8.125 1.00 55.24 N ATOM 155 CA ALA A 10 7.569 5.640 9.601 1.00 10.13 C ATOM 156 C ALA A 10 6.527 4.630 10.150 1.00 4.52 C ATOM 157 O ALA A 10 6.717 4.035 11.215 1.00 14.42 O ATOM 158 CB ALA A 10 7.191 7.078 9.993 1.00 60.01 C ATOM 0 H ALA A 10 7.349 6.340 7.618 1.00 55.24 H new ATOM 0 HA ALA A 10 8.533 5.398 10.048 1.00 10.13 H new ATOM 0 HB1 ALA A 10 7.098 7.147 11.077 1.00 60.01 H new ATOM 0 HB2 ALA A 10 7.966 7.764 9.651 1.00 60.01 H new ATOM 0 HB3 ALA A 10 6.241 7.344 9.530 1.00 60.01 H new ATOM 164 N LEU A 11 5.431 4.450 9.390 1.00 71.12 N ATOM 165 CA LEU A 11 4.372 3.457 9.683 1.00 3.35 C ATOM 166 C LEU A 11 4.912 2.031 9.527 1.00 2.42 C ATOM 167 O LEU A 11 4.551 1.136 10.286 1.00 21.11 O ATOM 168 CB LEU A 11 3.167 3.668 8.736 1.00 53.20 C ATOM 169 CG LEU A 11 2.437 5.034 8.873 1.00 25.04 C ATOM 170 CD1 LEU A 11 1.383 5.218 7.766 1.00 52.44 C ATOM 171 CD2 LEU A 11 1.822 5.188 10.280 1.00 51.15 C ATOM 0 H LEU A 11 5.251 4.994 8.546 1.00 71.12 H new ATOM 0 HA LEU A 11 4.046 3.597 10.714 1.00 3.35 H new ATOM 0 HB2 LEU A 11 3.513 3.563 7.708 1.00 53.20 H new ATOM 0 HB3 LEU A 11 2.445 2.871 8.913 1.00 53.20 H new ATOM 0 HG LEU A 11 3.175 5.827 8.747 1.00 25.04 H new ATOM 0 HD11 LEU A 11 0.890 6.182 7.889 1.00 52.44 H new ATOM 0 HD12 LEU A 11 1.869 5.181 6.791 1.00 52.44 H new ATOM 0 HD13 LEU A 11 0.642 4.421 7.833 1.00 52.44 H new ATOM 0 HD21 LEU A 11 1.317 6.151 10.353 1.00 51.15 H new ATOM 0 HD22 LEU A 11 1.103 4.387 10.453 1.00 51.15 H new ATOM 0 HD23 LEU A 11 2.611 5.135 11.030 1.00 51.15 H new ATOM 183 N ALA A 12 5.798 1.846 8.535 1.00 52.31 N ATOM 184 CA ALA A 12 6.494 0.569 8.308 1.00 23.20 C ATOM 185 C ALA A 12 7.321 0.130 9.533 1.00 20.23 C ATOM 186 O ALA A 12 7.512 -1.066 9.755 1.00 61.21 O ATOM 187 CB ALA A 12 7.391 0.658 7.069 1.00 63.43 C ATOM 0 H ALA A 12 6.052 2.576 7.869 1.00 52.31 H new ATOM 0 HA ALA A 12 5.727 -0.188 8.143 1.00 23.20 H new ATOM 0 HB1 ALA A 12 7.897 -0.295 6.917 1.00 63.43 H new ATOM 0 HB2 ALA A 12 6.782 0.889 6.195 1.00 63.43 H new ATOM 0 HB3 ALA A 12 8.133 1.444 7.212 1.00 63.43 H new ATOM 193 N GLY A 13 7.811 1.117 10.310 1.00 15.31 N ATOM 194 CA GLY A 13 8.520 0.847 11.560 1.00 35.44 C ATOM 195 C GLY A 13 7.646 0.150 12.611 1.00 1.40 C ATOM 196 O GLY A 13 7.974 -0.947 13.063 1.00 30.32 O ATOM 0 H GLY A 13 7.724 2.108 10.086 1.00 15.31 H new ATOM 0 HA2 GLY A 13 9.390 0.225 11.350 1.00 35.44 H new ATOM 0 HA3 GLY A 13 8.891 1.786 11.970 1.00 35.44 H new ATOM 200 N GLN A 14 6.490 0.761 12.931 1.00 33.02 N ATOM 201 CA GLN A 14 5.582 0.279 14.011 1.00 41.05 C ATOM 202 C GLN A 14 4.775 -0.984 13.610 1.00 12.43 C ATOM 203 O GLN A 14 4.540 -1.864 14.446 1.00 63.52 O ATOM 204 CB GLN A 14 4.625 1.421 14.461 1.00 41.43 C ATOM 205 CG GLN A 14 3.715 2.002 13.349 1.00 54.01 C ATOM 206 CD GLN A 14 2.884 3.219 13.780 1.00 3.15 C ATOM 207 OE1 GLN A 14 1.773 3.423 13.309 1.00 52.22 O ATOM 208 NE2 GLN A 14 3.432 4.061 14.640 1.00 21.23 N ATOM 0 H GLN A 14 6.153 1.599 12.457 1.00 33.02 H new ATOM 0 HA GLN A 14 6.216 -0.014 14.848 1.00 41.05 H new ATOM 0 HB2 GLN A 14 3.993 1.046 15.266 1.00 41.43 H new ATOM 0 HB3 GLN A 14 5.224 2.231 14.877 1.00 41.43 H new ATOM 0 HG2 GLN A 14 4.336 2.284 12.499 1.00 54.01 H new ATOM 0 HG3 GLN A 14 3.039 1.220 13.004 1.00 54.01 H new ATOM 0 HE21 GLN A 14 4.359 3.871 15.020 1.00 21.23 H new ATOM 0 HE22 GLN A 14 2.927 4.901 14.924 1.00 21.23 H new ATOM 217 N ILE A 15 4.340 -1.057 12.334 1.00 41.40 N ATOM 218 CA ILE A 15 3.553 -2.202 11.807 1.00 53.44 C ATOM 219 C ILE A 15 4.415 -3.487 11.746 1.00 14.43 C ATOM 220 O ILE A 15 3.953 -4.577 12.105 1.00 14.03 O ATOM 221 CB ILE A 15 2.925 -1.855 10.396 1.00 21.23 C ATOM 222 CG1 ILE A 15 1.917 -0.661 10.539 1.00 11.14 C ATOM 223 CG2 ILE A 15 2.235 -3.082 9.737 1.00 43.34 C ATOM 224 CD1 ILE A 15 1.306 -0.166 9.236 1.00 11.11 C ATOM 0 H ILE A 15 4.521 -0.331 11.641 1.00 41.40 H new ATOM 0 HA ILE A 15 2.729 -2.393 12.495 1.00 53.44 H new ATOM 0 HB ILE A 15 3.741 -1.562 9.735 1.00 21.23 H new ATOM 0 HG12 ILE A 15 1.111 -0.966 11.206 1.00 11.14 H new ATOM 0 HG13 ILE A 15 2.431 0.171 11.019 1.00 11.14 H new ATOM 0 HG21 ILE A 15 1.821 -2.791 8.772 1.00 43.34 H new ATOM 0 HG22 ILE A 15 2.967 -3.877 9.593 1.00 43.34 H new ATOM 0 HG23 ILE A 15 1.433 -3.439 10.383 1.00 43.34 H new ATOM 0 HD11 ILE A 15 0.625 0.659 9.444 1.00 11.11 H new ATOM 0 HD12 ILE A 15 2.098 0.176 8.570 1.00 11.11 H new ATOM 0 HD13 ILE A 15 0.757 -0.978 8.760 1.00 11.11 H new ATOM 236 N TRP A 16 5.679 -3.336 11.312 1.00 41.13 N ATOM 237 CA TRP A 16 6.675 -4.428 11.349 1.00 42.03 C ATOM 238 C TRP A 16 7.015 -4.829 12.809 1.00 0.01 C ATOM 239 O TRP A 16 7.152 -6.013 13.110 1.00 33.53 O ATOM 240 CB TRP A 16 7.952 -4.005 10.584 1.00 71.42 C ATOM 241 CG TRP A 16 8.984 -5.096 10.431 1.00 14.41 C ATOM 242 CD1 TRP A 16 9.075 -5.996 9.416 1.00 52.52 C ATOM 243 CD2 TRP A 16 10.059 -5.397 11.329 1.00 0.32 C ATOM 244 NE1 TRP A 16 10.135 -6.841 9.629 1.00 53.42 N ATOM 245 CE2 TRP A 16 10.749 -6.496 10.802 1.00 24.23 C ATOM 246 CE3 TRP A 16 10.492 -4.842 12.534 1.00 70.43 C ATOM 247 CZ2 TRP A 16 11.854 -7.053 11.437 1.00 64.30 C ATOM 248 CZ3 TRP A 16 11.583 -5.390 13.162 1.00 70.43 C ATOM 249 CH2 TRP A 16 12.255 -6.491 12.617 1.00 62.24 C ATOM 0 H TRP A 16 6.039 -2.462 10.928 1.00 41.13 H new ATOM 0 HA TRP A 16 6.245 -5.302 10.860 1.00 42.03 H new ATOM 0 HB2 TRP A 16 7.666 -3.652 9.593 1.00 71.42 H new ATOM 0 HB3 TRP A 16 8.408 -3.162 11.103 1.00 71.42 H new ATOM 0 HD1 TRP A 16 8.410 -6.040 8.566 1.00 52.52 H new ATOM 0 HE1 TRP A 16 10.419 -7.603 9.013 1.00 53.42 H new ATOM 0 HE3 TRP A 16 9.978 -3.996 12.965 1.00 70.43 H new ATOM 0 HZ2 TRP A 16 12.376 -7.898 11.014 1.00 64.30 H new ATOM 0 HZ3 TRP A 16 11.929 -4.965 14.092 1.00 70.43 H new ATOM 0 HH2 TRP A 16 13.106 -6.904 13.139 1.00 62.24 H new ATOM 260 N GLU A 17 7.171 -3.826 13.700 1.00 34.24 N ATOM 261 CA GLU A 17 7.425 -4.063 15.150 1.00 25.23 C ATOM 262 C GLU A 17 6.261 -4.815 15.837 1.00 70.23 C ATOM 263 O GLU A 17 6.483 -5.542 16.811 1.00 21.13 O ATOM 264 CB GLU A 17 7.715 -2.722 15.880 1.00 35.41 C ATOM 265 CG GLU A 17 9.162 -2.193 15.742 1.00 51.43 C ATOM 266 CD GLU A 17 10.190 -3.004 16.556 1.00 73.41 C ATOM 267 OE1 GLU A 17 10.253 -2.814 17.791 1.00 31.32 O ATOM 268 OE2 GLU A 17 10.919 -3.834 15.980 1.00 42.23 O ATOM 0 H GLU A 17 7.126 -2.839 13.446 1.00 34.24 H new ATOM 0 HA GLU A 17 8.305 -4.703 15.220 1.00 25.23 H new ATOM 0 HB2 GLU A 17 7.031 -1.964 15.498 1.00 35.41 H new ATOM 0 HB3 GLU A 17 7.492 -2.848 16.939 1.00 35.41 H new ATOM 0 HG2 GLU A 17 9.448 -2.209 14.690 1.00 51.43 H new ATOM 0 HG3 GLU A 17 9.193 -1.152 16.065 1.00 51.43 H new ATOM 275 N ALA A 18 5.026 -4.629 15.336 1.00 22.43 N ATOM 276 CA ALA A 18 3.848 -5.404 15.789 1.00 72.23 C ATOM 277 C ALA A 18 4.008 -6.907 15.444 1.00 50.10 C ATOM 278 O ALA A 18 3.645 -7.787 16.231 1.00 30.40 O ATOM 279 CB ALA A 18 2.575 -4.832 15.146 1.00 34.24 C ATOM 0 H ALA A 18 4.814 -3.944 14.611 1.00 22.43 H new ATOM 0 HA ALA A 18 3.768 -5.319 16.873 1.00 72.23 H new ATOM 0 HB1 ALA A 18 1.710 -5.404 15.481 1.00 34.24 H new ATOM 0 HB2 ALA A 18 2.456 -3.789 15.439 1.00 34.24 H new ATOM 0 HB3 ALA A 18 2.655 -4.897 14.061 1.00 34.24 H new ATOM 285 N LEU A 19 4.581 -7.165 14.257 1.00 43.32 N ATOM 286 CA LEU A 19 4.853 -8.525 13.735 1.00 42.42 C ATOM 287 C LEU A 19 6.146 -9.137 14.342 1.00 31.53 C ATOM 288 O LEU A 19 6.303 -10.366 14.380 1.00 52.45 O ATOM 289 CB LEU A 19 4.978 -8.441 12.194 1.00 45.23 C ATOM 290 CG LEU A 19 3.732 -7.887 11.434 1.00 52.51 C ATOM 291 CD1 LEU A 19 4.062 -7.562 9.963 1.00 52.01 C ATOM 292 CD2 LEU A 19 2.548 -8.866 11.529 1.00 32.20 C ATOM 0 H LEU A 19 4.875 -6.426 13.619 1.00 43.32 H new ATOM 0 HA LEU A 19 4.029 -9.179 14.020 1.00 42.42 H new ATOM 0 HB2 LEU A 19 5.835 -7.812 11.953 1.00 45.23 H new ATOM 0 HB3 LEU A 19 5.197 -9.438 11.813 1.00 45.23 H new ATOM 0 HG LEU A 19 3.442 -6.955 11.918 1.00 52.51 H new ATOM 0 HD11 LEU A 19 3.171 -7.179 9.466 1.00 52.01 H new ATOM 0 HD12 LEU A 19 4.850 -6.810 9.924 1.00 52.01 H new ATOM 0 HD13 LEU A 19 4.399 -8.467 9.457 1.00 52.01 H new ATOM 0 HD21 LEU A 19 1.693 -8.456 10.991 1.00 32.20 H new ATOM 0 HD22 LEU A 19 2.830 -9.822 11.088 1.00 32.20 H new ATOM 0 HD23 LEU A 19 2.281 -9.014 12.575 1.00 32.20 H new ATOM 304 N ASN A 20 7.061 -8.263 14.810 1.00 73.42 N ATOM 305 CA ASN A 20 8.392 -8.663 15.318 1.00 12.23 C ATOM 306 C ASN A 20 8.282 -9.420 16.666 1.00 23.12 C ATOM 307 O ASN A 20 7.556 -8.996 17.575 1.00 15.53 O ATOM 308 CB ASN A 20 9.300 -7.414 15.459 1.00 50.21 C ATOM 309 CG ASN A 20 10.737 -7.731 15.897 1.00 33.20 C ATOM 310 OD1 ASN A 20 11.275 -8.796 15.602 1.00 10.30 O ATOM 311 ND2 ASN A 20 11.372 -6.806 16.589 1.00 53.52 N ATOM 0 H ASN A 20 6.898 -7.257 14.847 1.00 73.42 H new ATOM 0 HA ASN A 20 8.841 -9.348 14.598 1.00 12.23 H new ATOM 0 HB2 ASN A 20 9.330 -6.890 14.504 1.00 50.21 H new ATOM 0 HB3 ASN A 20 8.853 -6.733 16.183 1.00 50.21 H new ATOM 0 HD21 ASN A 20 12.333 -6.966 16.893 1.00 53.52 H new ATOM 0 HD22 ASN A 20 10.903 -5.931 16.821 1.00 53.52 H new ATOM 318 N GLY A 21 9.010 -10.549 16.763 1.00 31.20 N ATOM 319 CA GLY A 21 8.981 -11.421 17.946 1.00 42.13 C ATOM 320 C GLY A 21 7.680 -12.228 18.097 1.00 61.22 C ATOM 321 O GLY A 21 7.446 -12.847 19.141 1.00 34.10 O ATOM 0 H GLY A 21 9.632 -10.879 16.025 1.00 31.20 H new ATOM 0 HA2 GLY A 21 9.822 -12.113 17.895 1.00 42.13 H new ATOM 0 HA3 GLY A 21 9.124 -10.811 18.838 1.00 42.13 H new ATOM 325 N THR A 22 6.837 -12.220 17.042 1.00 32.12 N ATOM 326 CA THR A 22 5.514 -12.895 17.031 1.00 54.44 C ATOM 327 C THR A 22 5.387 -13.831 15.798 1.00 52.42 C ATOM 328 O THR A 22 6.115 -13.670 14.812 1.00 55.34 O ATOM 329 CB THR A 22 4.344 -11.833 17.012 1.00 73.51 C ATOM 330 OG1 THR A 22 4.618 -10.758 17.939 1.00 75.33 O ATOM 331 CG2 THR A 22 2.978 -12.457 17.376 1.00 34.05 C ATOM 0 H THR A 22 7.053 -11.743 16.167 1.00 32.12 H new ATOM 0 HA THR A 22 5.436 -13.491 17.940 1.00 54.44 H new ATOM 0 HB THR A 22 4.291 -11.452 15.992 1.00 73.51 H new ATOM 0 HG1 THR A 22 3.884 -10.109 17.913 1.00 75.33 H new ATOM 0 HG21 THR A 22 2.207 -11.687 17.349 1.00 34.05 H new ATOM 0 HG22 THR A 22 2.733 -13.241 16.659 1.00 34.05 H new ATOM 0 HG23 THR A 22 3.029 -12.885 18.377 1.00 34.05 H new ATOM 339 N GLU A 23 4.449 -14.800 15.872 1.00 30.01 N ATOM 340 CA GLU A 23 4.122 -15.741 14.767 1.00 35.43 C ATOM 341 C GLU A 23 3.633 -15.025 13.468 1.00 1.43 C ATOM 342 O GLU A 23 3.843 -15.529 12.363 1.00 53.22 O ATOM 343 CB GLU A 23 3.016 -16.726 15.248 1.00 4.31 C ATOM 344 CG GLU A 23 1.697 -16.041 15.680 1.00 42.51 C ATOM 345 CD GLU A 23 0.547 -17.027 15.919 1.00 52.21 C ATOM 346 OE1 GLU A 23 -0.140 -17.395 14.942 1.00 41.43 O ATOM 347 OE2 GLU A 23 0.328 -17.444 17.075 1.00 64.40 O ATOM 0 H GLU A 23 3.888 -14.957 16.709 1.00 30.01 H new ATOM 0 HA GLU A 23 5.043 -16.266 14.515 1.00 35.43 H new ATOM 0 HB2 GLU A 23 2.800 -17.431 14.445 1.00 4.31 H new ATOM 0 HB3 GLU A 23 3.402 -17.306 16.086 1.00 4.31 H new ATOM 0 HG2 GLU A 23 1.874 -15.473 16.593 1.00 42.51 H new ATOM 0 HG3 GLU A 23 1.399 -15.327 14.913 1.00 42.51 H new ATOM 354 N GLY A 24 2.983 -13.855 13.628 1.00 12.20 N ATOM 355 CA GLY A 24 2.304 -13.156 12.518 1.00 41.41 C ATOM 356 C GLY A 24 0.895 -12.694 12.911 1.00 51.15 C ATOM 357 O GLY A 24 0.178 -13.413 13.613 1.00 52.10 O ATOM 0 H GLY A 24 2.914 -13.371 14.523 1.00 12.20 H new ATOM 0 HA2 GLY A 24 2.898 -12.294 12.215 1.00 41.41 H new ATOM 0 HA3 GLY A 24 2.241 -13.819 11.655 1.00 41.41 H new ATOM 361 N LEU A 25 0.486 -11.494 12.448 1.00 71.23 N ATOM 362 CA LEU A 25 -0.761 -10.820 12.909 1.00 64.32 C ATOM 363 C LEU A 25 -1.703 -10.498 11.717 1.00 25.40 C ATOM 364 O LEU A 25 -1.251 -10.329 10.578 1.00 2.13 O ATOM 365 CB LEU A 25 -0.426 -9.492 13.677 1.00 20.32 C ATOM 366 CG LEU A 25 0.255 -9.593 15.095 1.00 73.35 C ATOM 367 CD1 LEU A 25 1.703 -10.088 15.016 1.00 23.55 C ATOM 368 CD2 LEU A 25 0.189 -8.242 15.853 1.00 55.53 C ATOM 0 H LEU A 25 1.003 -10.962 11.748 1.00 71.23 H new ATOM 0 HA LEU A 25 -1.270 -11.509 13.583 1.00 64.32 H new ATOM 0 HB2 LEU A 25 0.225 -8.895 13.038 1.00 20.32 H new ATOM 0 HB3 LEU A 25 -1.355 -8.934 13.795 1.00 20.32 H new ATOM 0 HG LEU A 25 -0.315 -10.335 15.655 1.00 73.35 H new ATOM 0 HD11 LEU A 25 2.125 -10.139 16.020 1.00 23.55 H new ATOM 0 HD12 LEU A 25 1.725 -11.079 14.562 1.00 23.55 H new ATOM 0 HD13 LEU A 25 2.291 -9.398 14.410 1.00 23.55 H new ATOM 0 HD21 LEU A 25 0.668 -8.347 16.827 1.00 55.53 H new ATOM 0 HD22 LEU A 25 0.706 -7.475 15.276 1.00 55.53 H new ATOM 0 HD23 LEU A 25 -0.853 -7.952 15.990 1.00 55.53 H new ATOM 380 N THR A 26 -3.025 -10.420 12.003 1.00 75.13 N ATOM 381 CA THR A 26 -4.050 -9.936 11.033 1.00 10.42 C ATOM 382 C THR A 26 -4.146 -8.389 11.073 1.00 55.44 C ATOM 383 O THR A 26 -3.400 -7.742 11.819 1.00 35.21 O ATOM 384 CB THR A 26 -5.471 -10.526 11.348 1.00 72.31 C ATOM 385 OG1 THR A 26 -5.966 -9.994 12.593 1.00 40.25 O ATOM 386 CG2 THR A 26 -5.479 -12.061 11.421 1.00 42.42 C ATOM 0 H THR A 26 -3.414 -10.688 12.907 1.00 75.13 H new ATOM 0 HA THR A 26 -3.735 -10.272 10.045 1.00 10.42 H new ATOM 0 HB THR A 26 -6.118 -10.231 10.522 1.00 72.31 H new ATOM 0 HG1 THR A 26 -6.853 -10.367 12.779 1.00 40.25 H new ATOM 0 HG21 THR A 26 -6.488 -12.410 11.641 1.00 42.42 H new ATOM 0 HG22 THR A 26 -5.154 -12.472 10.466 1.00 42.42 H new ATOM 0 HG23 THR A 26 -4.801 -12.391 12.208 1.00 42.42 H new ATOM 394 N GLN A 27 -5.075 -7.795 10.280 1.00 52.11 N ATOM 395 CA GLN A 27 -5.353 -6.336 10.343 1.00 24.43 C ATOM 396 C GLN A 27 -5.763 -5.896 11.767 1.00 31.01 C ATOM 397 O GLN A 27 -5.200 -4.950 12.282 1.00 73.41 O ATOM 398 CB GLN A 27 -6.458 -5.909 9.339 1.00 51.05 C ATOM 399 CG GLN A 27 -5.999 -5.792 7.882 1.00 20.41 C ATOM 400 CD GLN A 27 -7.105 -5.282 6.957 1.00 32.40 C ATOM 401 OE1 GLN A 27 -7.795 -6.057 6.300 1.00 43.53 O ATOM 402 NE2 GLN A 27 -7.344 -3.980 6.971 1.00 71.12 N ATOM 0 H GLN A 27 -5.639 -8.298 9.596 1.00 52.11 H new ATOM 0 HA GLN A 27 -4.422 -5.839 10.069 1.00 24.43 H new ATOM 0 HB2 GLN A 27 -7.273 -6.631 9.390 1.00 51.05 H new ATOM 0 HB3 GLN A 27 -6.863 -4.948 9.655 1.00 51.05 H new ATOM 0 HG2 GLN A 27 -5.144 -5.118 7.827 1.00 20.41 H new ATOM 0 HG3 GLN A 27 -5.659 -6.767 7.533 1.00 20.41 H new ATOM 0 HE21 GLN A 27 -6.755 -3.359 7.526 1.00 71.12 H new ATOM 0 HE22 GLN A 27 -8.117 -3.598 6.427 1.00 71.12 H new ATOM 411 N LYS A 28 -6.730 -6.611 12.383 1.00 24.21 N ATOM 412 CA LYS A 28 -7.219 -6.319 13.766 1.00 31.05 C ATOM 413 C LYS A 28 -6.085 -6.384 14.817 1.00 42.13 C ATOM 414 O LYS A 28 -5.995 -5.525 15.703 1.00 45.24 O ATOM 415 CB LYS A 28 -8.344 -7.310 14.169 1.00 74.11 C ATOM 416 CG LYS A 28 -9.665 -7.124 13.400 1.00 52.52 C ATOM 417 CD LYS A 28 -10.749 -8.144 13.817 1.00 74.40 C ATOM 418 CE LYS A 28 -12.105 -7.868 13.145 1.00 60.02 C ATOM 419 NZ LYS A 28 -12.648 -6.535 13.525 1.00 52.20 N ATOM 0 H LYS A 28 -7.197 -7.405 11.945 1.00 24.21 H new ATOM 0 HA LYS A 28 -7.609 -5.301 13.750 1.00 31.05 H new ATOM 0 HB2 LYS A 28 -7.987 -8.328 14.012 1.00 74.11 H new ATOM 0 HB3 LYS A 28 -8.541 -7.202 15.236 1.00 74.11 H new ATOM 0 HG2 LYS A 28 -10.039 -6.114 13.568 1.00 52.52 H new ATOM 0 HG3 LYS A 28 -9.475 -7.220 12.331 1.00 52.52 H new ATOM 0 HD2 LYS A 28 -10.417 -9.149 13.558 1.00 74.40 H new ATOM 0 HD3 LYS A 28 -10.871 -8.118 14.900 1.00 74.40 H new ATOM 0 HE2 LYS A 28 -11.991 -7.919 12.062 1.00 60.02 H new ATOM 0 HE3 LYS A 28 -12.816 -8.644 13.428 1.00 60.02 H new ATOM 0 HZ1 LYS A 28 -13.651 -6.479 13.254 1.00 52.20 H new ATOM 0 HZ2 LYS A 28 -12.559 -6.404 14.553 1.00 52.20 H new ATOM 0 HZ3 LYS A 28 -12.114 -5.790 13.034 1.00 52.20 H new ATOM 433 N GLN A 29 -5.232 -7.409 14.694 1.00 60.32 N ATOM 434 CA GLN A 29 -4.133 -7.663 15.646 1.00 74.15 C ATOM 435 C GLN A 29 -3.049 -6.554 15.591 1.00 64.55 C ATOM 436 O GLN A 29 -2.578 -6.087 16.636 1.00 12.41 O ATOM 437 CB GLN A 29 -3.517 -9.058 15.371 1.00 51.42 C ATOM 438 CG GLN A 29 -4.464 -10.264 15.570 1.00 65.24 C ATOM 439 CD GLN A 29 -4.782 -10.601 17.036 1.00 51.54 C ATOM 440 OE1 GLN A 29 -4.821 -9.742 17.912 1.00 53.12 O ATOM 441 NE2 GLN A 29 -5.004 -11.868 17.313 1.00 62.24 N ATOM 0 H GLN A 29 -5.281 -8.087 13.934 1.00 60.32 H new ATOM 0 HA GLN A 29 -4.546 -7.647 16.655 1.00 74.15 H new ATOM 0 HB2 GLN A 29 -3.148 -9.075 14.345 1.00 51.42 H new ATOM 0 HB3 GLN A 29 -2.653 -9.187 16.023 1.00 51.42 H new ATOM 0 HG2 GLN A 29 -5.399 -10.063 15.047 1.00 65.24 H new ATOM 0 HG3 GLN A 29 -4.017 -11.140 15.099 1.00 65.24 H new ATOM 0 HE21 GLN A 29 -4.967 -12.566 16.571 1.00 62.24 H new ATOM 0 HE22 GLN A 29 -5.213 -12.152 18.270 1.00 62.24 H new ATOM 450 N ILE A 30 -2.652 -6.145 14.365 1.00 31.34 N ATOM 451 CA ILE A 30 -1.699 -5.019 14.163 1.00 71.13 C ATOM 452 C ILE A 30 -2.346 -3.679 14.593 1.00 63.21 C ATOM 453 O ILE A 30 -1.713 -2.859 15.237 1.00 44.00 O ATOM 454 CB ILE A 30 -1.222 -4.903 12.663 1.00 22.55 C ATOM 455 CG1 ILE A 30 -0.554 -6.230 12.181 1.00 71.45 C ATOM 456 CG2 ILE A 30 -0.256 -3.702 12.471 1.00 1.23 C ATOM 457 CD1 ILE A 30 -0.176 -6.263 10.706 1.00 64.24 C ATOM 0 H ILE A 30 -2.974 -6.575 13.498 1.00 31.34 H new ATOM 0 HA ILE A 30 -0.827 -5.229 14.783 1.00 71.13 H new ATOM 0 HB ILE A 30 -2.106 -4.726 12.050 1.00 22.55 H new ATOM 0 HG12 ILE A 30 0.344 -6.403 12.774 1.00 71.45 H new ATOM 0 HG13 ILE A 30 -1.235 -7.056 12.384 1.00 71.45 H new ATOM 0 HG21 ILE A 30 0.055 -3.648 11.428 1.00 1.23 H new ATOM 0 HG22 ILE A 30 -0.765 -2.778 12.746 1.00 1.23 H new ATOM 0 HG23 ILE A 30 0.621 -3.835 13.105 1.00 1.23 H new ATOM 0 HD11 ILE A 30 0.280 -7.224 10.469 1.00 64.24 H new ATOM 0 HD12 ILE A 30 -1.070 -6.126 10.098 1.00 64.24 H new ATOM 0 HD13 ILE A 30 0.533 -5.463 10.494 1.00 64.24 H new ATOM 469 N LYS A 31 -3.623 -3.506 14.223 1.00 60.13 N ATOM 470 CA LYS A 31 -4.453 -2.299 14.518 1.00 44.03 C ATOM 471 C LYS A 31 -4.505 -2.006 16.037 1.00 65.44 C ATOM 472 O LYS A 31 -4.540 -0.848 16.464 1.00 72.22 O ATOM 473 CB LYS A 31 -5.879 -2.557 13.971 1.00 70.41 C ATOM 474 CG LYS A 31 -6.806 -1.342 13.851 1.00 45.50 C ATOM 475 CD LYS A 31 -8.169 -1.728 13.218 1.00 64.31 C ATOM 476 CE LYS A 31 -8.976 -0.513 12.747 1.00 50.22 C ATOM 477 NZ LYS A 31 -8.296 0.196 11.638 1.00 31.53 N ATOM 0 H LYS A 31 -4.134 -4.214 13.695 1.00 60.13 H new ATOM 0 HA LYS A 31 -4.010 -1.426 14.039 1.00 44.03 H new ATOM 0 HB2 LYS A 31 -5.787 -3.012 12.985 1.00 70.41 H new ATOM 0 HB3 LYS A 31 -6.363 -3.290 14.617 1.00 70.41 H new ATOM 0 HG2 LYS A 31 -6.971 -0.910 14.838 1.00 45.50 H new ATOM 0 HG3 LYS A 31 -6.326 -0.575 13.244 1.00 45.50 H new ATOM 0 HD2 LYS A 31 -7.995 -2.392 12.371 1.00 64.31 H new ATOM 0 HD3 LYS A 31 -8.756 -2.287 13.946 1.00 64.31 H new ATOM 0 HE2 LYS A 31 -9.965 -0.836 12.421 1.00 50.22 H new ATOM 0 HE3 LYS A 31 -9.124 0.172 13.582 1.00 50.22 H new ATOM 0 HZ1 LYS A 31 -8.998 0.727 11.083 1.00 31.53 H new ATOM 0 HZ2 LYS A 31 -7.592 0.855 12.027 1.00 31.53 H new ATOM 0 HZ3 LYS A 31 -7.820 -0.495 11.024 1.00 31.53 H new ATOM 491 N LYS A 32 -4.523 -3.092 16.823 1.00 34.22 N ATOM 492 CA LYS A 32 -4.417 -3.053 18.292 1.00 60.14 C ATOM 493 C LYS A 32 -3.012 -2.547 18.739 1.00 35.30 C ATOM 494 O LYS A 32 -2.900 -1.596 19.517 1.00 30.44 O ATOM 495 CB LYS A 32 -4.683 -4.482 18.853 1.00 62.34 C ATOM 496 CG LYS A 32 -4.635 -4.618 20.395 1.00 34.04 C ATOM 497 CD LYS A 32 -5.785 -3.871 21.113 1.00 72.34 C ATOM 498 CE LYS A 32 -5.719 -4.025 22.643 1.00 5.50 C ATOM 499 NZ LYS A 32 -6.914 -3.459 23.316 1.00 74.30 N ATOM 0 H LYS A 32 -4.613 -4.038 16.452 1.00 34.22 H new ATOM 0 HA LYS A 32 -5.158 -2.357 18.686 1.00 60.14 H new ATOM 0 HB2 LYS A 32 -5.663 -4.811 18.508 1.00 62.34 H new ATOM 0 HB3 LYS A 32 -3.949 -5.163 18.424 1.00 62.34 H new ATOM 0 HG2 LYS A 32 -4.676 -5.674 20.661 1.00 34.04 H new ATOM 0 HG3 LYS A 32 -3.681 -4.235 20.757 1.00 34.04 H new ATOM 0 HD2 LYS A 32 -5.744 -2.813 20.855 1.00 72.34 H new ATOM 0 HD3 LYS A 32 -6.741 -4.250 20.753 1.00 72.34 H new ATOM 0 HE2 LYS A 32 -5.628 -5.081 22.896 1.00 5.50 H new ATOM 0 HE3 LYS A 32 -4.824 -3.529 23.018 1.00 5.50 H new ATOM 0 HZ1 LYS A 32 -6.826 -3.585 24.345 1.00 74.30 H new ATOM 0 HZ2 LYS A 32 -6.988 -2.445 23.097 1.00 74.30 H new ATOM 0 HZ3 LYS A 32 -7.767 -3.949 22.979 1.00 74.30 H new ATOM 513 N ALA A 33 -1.952 -3.185 18.200 1.00 3.41 N ATOM 514 CA ALA A 33 -0.544 -2.955 18.630 1.00 51.43 C ATOM 515 C ALA A 33 0.048 -1.607 18.129 1.00 33.44 C ATOM 516 O ALA A 33 1.028 -1.105 18.694 1.00 11.44 O ATOM 517 CB ALA A 33 0.332 -4.132 18.161 1.00 14.51 C ATOM 0 H ALA A 33 -2.041 -3.875 17.454 1.00 3.41 H new ATOM 0 HA ALA A 33 -0.549 -2.894 19.718 1.00 51.43 H new ATOM 0 HB1 ALA A 33 1.363 -3.966 18.474 1.00 14.51 H new ATOM 0 HB2 ALA A 33 -0.037 -5.058 18.602 1.00 14.51 H new ATOM 0 HB3 ALA A 33 0.291 -4.206 17.074 1.00 14.51 H new ATOM 523 N THR A 34 -0.533 -1.047 17.052 1.00 60.13 N ATOM 524 CA THR A 34 -0.074 0.232 16.434 1.00 0.34 C ATOM 525 C THR A 34 -1.061 1.394 16.684 1.00 70.24 C ATOM 526 O THR A 34 -0.691 2.559 16.503 1.00 51.24 O ATOM 527 CB THR A 34 0.122 0.076 14.889 1.00 12.31 C ATOM 528 OG1 THR A 34 -1.132 -0.276 14.264 1.00 14.05 O ATOM 529 CG2 THR A 34 1.182 -0.988 14.553 1.00 1.20 C ATOM 0 H THR A 34 -1.336 -1.461 16.578 1.00 60.13 H new ATOM 0 HA THR A 34 0.877 0.469 16.911 1.00 0.34 H new ATOM 0 HB THR A 34 0.471 1.034 14.504 1.00 12.31 H new ATOM 0 HG1 THR A 34 -1.402 -1.172 14.555 1.00 14.05 H new ATOM 0 HG21 THR A 34 1.289 -1.066 13.471 1.00 1.20 H new ATOM 0 HG22 THR A 34 2.138 -0.701 14.992 1.00 1.20 H new ATOM 0 HG23 THR A 34 0.872 -1.951 14.958 1.00 1.20 H new ATOM 537 N LYS A 35 -2.324 1.053 17.039 1.00 74.12 N ATOM 538 CA LYS A 35 -3.401 2.032 17.372 1.00 54.31 C ATOM 539 C LYS A 35 -3.849 2.854 16.131 1.00 12.10 C ATOM 540 O LYS A 35 -4.256 4.014 16.252 1.00 63.15 O ATOM 541 CB LYS A 35 -2.989 2.967 18.556 1.00 23.04 C ATOM 542 CG LYS A 35 -2.779 2.252 19.909 1.00 10.41 C ATOM 543 CD LYS A 35 -4.059 1.542 20.413 1.00 53.51 C ATOM 544 CE LYS A 35 -3.895 0.973 21.828 1.00 20.22 C ATOM 545 NZ LYS A 35 -2.779 -0.005 21.914 1.00 54.51 N ATOM 0 H LYS A 35 -2.632 0.083 17.104 1.00 74.12 H new ATOM 0 HA LYS A 35 -4.262 1.450 17.699 1.00 54.31 H new ATOM 0 HB2 LYS A 35 -2.067 3.483 18.288 1.00 23.04 H new ATOM 0 HB3 LYS A 35 -3.757 3.730 18.681 1.00 23.04 H new ATOM 0 HG2 LYS A 35 -1.978 1.520 19.808 1.00 10.41 H new ATOM 0 HG3 LYS A 35 -2.454 2.979 20.653 1.00 10.41 H new ATOM 0 HD2 LYS A 35 -4.890 2.247 20.402 1.00 53.51 H new ATOM 0 HD3 LYS A 35 -4.317 0.735 19.728 1.00 53.51 H new ATOM 0 HE2 LYS A 35 -3.715 1.789 22.527 1.00 20.22 H new ATOM 0 HE3 LYS A 35 -4.823 0.490 22.133 1.00 20.22 H new ATOM 0 HZ1 LYS A 35 -2.897 -0.593 22.764 1.00 54.51 H new ATOM 0 HZ2 LYS A 35 -2.784 -0.612 21.070 1.00 54.51 H new ATOM 0 HZ3 LYS A 35 -1.874 0.505 21.969 1.00 54.51 H new ATOM 559 N LEU A 36 -3.798 2.229 14.939 1.00 13.02 N ATOM 560 CA LEU A 36 -4.238 2.870 13.680 1.00 64.15 C ATOM 561 C LEU A 36 -5.751 2.643 13.452 1.00 43.34 C ATOM 562 O LEU A 36 -6.157 1.596 12.949 1.00 22.41 O ATOM 563 CB LEU A 36 -3.408 2.355 12.468 1.00 41.21 C ATOM 564 CG LEU A 36 -1.857 2.558 12.556 1.00 12.13 C ATOM 565 CD1 LEU A 36 -1.169 2.182 11.225 1.00 24.13 C ATOM 566 CD2 LEU A 36 -1.486 3.992 12.999 1.00 21.32 C ATOM 0 H LEU A 36 -3.455 1.276 14.819 1.00 13.02 H new ATOM 0 HA LEU A 36 -4.064 3.942 13.769 1.00 64.15 H new ATOM 0 HB2 LEU A 36 -3.608 1.291 12.343 1.00 41.21 H new ATOM 0 HB3 LEU A 36 -3.769 2.854 11.569 1.00 41.21 H new ATOM 0 HG LEU A 36 -1.485 1.882 13.326 1.00 12.13 H new ATOM 0 HD11 LEU A 36 -0.093 2.333 11.316 1.00 24.13 H new ATOM 0 HD12 LEU A 36 -1.370 1.136 10.994 1.00 24.13 H new ATOM 0 HD13 LEU A 36 -1.557 2.811 10.424 1.00 24.13 H new ATOM 0 HD21 LEU A 36 -0.401 4.089 13.047 1.00 21.32 H new ATOM 0 HD22 LEU A 36 -1.883 4.709 12.280 1.00 21.32 H new ATOM 0 HD23 LEU A 36 -1.912 4.191 13.983 1.00 21.32 H new ATOM 578 N LYS A 37 -6.572 3.641 13.847 1.00 23.22 N ATOM 579 CA LYS A 37 -8.057 3.600 13.714 1.00 51.31 C ATOM 580 C LYS A 37 -8.495 3.490 12.232 1.00 11.44 C ATOM 581 O LYS A 37 -9.443 2.768 11.909 1.00 13.05 O ATOM 582 CB LYS A 37 -8.724 4.859 14.364 1.00 53.14 C ATOM 583 CG LYS A 37 -8.796 4.862 15.916 1.00 11.33 C ATOM 584 CD LYS A 37 -7.422 4.964 16.626 1.00 72.55 C ATOM 585 CE LYS A 37 -6.648 6.253 16.286 1.00 52.10 C ATOM 586 NZ LYS A 37 -7.427 7.481 16.585 1.00 55.03 N ATOM 0 H LYS A 37 -6.228 4.504 14.269 1.00 23.22 H new ATOM 0 HA LYS A 37 -8.393 2.709 14.244 1.00 51.31 H new ATOM 0 HB2 LYS A 37 -8.175 5.744 14.043 1.00 53.14 H new ATOM 0 HB3 LYS A 37 -9.737 4.953 13.972 1.00 53.14 H new ATOM 0 HG2 LYS A 37 -9.418 5.698 16.236 1.00 11.33 H new ATOM 0 HG3 LYS A 37 -9.293 3.950 16.245 1.00 11.33 H new ATOM 0 HD2 LYS A 37 -7.575 4.915 17.704 1.00 72.55 H new ATOM 0 HD3 LYS A 37 -6.815 4.102 16.351 1.00 72.55 H new ATOM 0 HE2 LYS A 37 -5.715 6.272 16.850 1.00 52.10 H new ATOM 0 HE3 LYS A 37 -6.381 6.244 15.229 1.00 52.10 H new ATOM 0 HZ1 LYS A 37 -6.838 8.319 16.403 1.00 55.03 H new ATOM 0 HZ2 LYS A 37 -8.271 7.513 15.979 1.00 55.03 H new ATOM 0 HZ3 LYS A 37 -7.718 7.473 17.583 1.00 55.03 H new ATOM 600 N ALA A 38 -7.796 4.218 11.353 1.00 74.20 N ATOM 601 CA ALA A 38 -8.030 4.191 9.898 1.00 50.40 C ATOM 602 C ALA A 38 -7.084 3.181 9.222 1.00 64.45 C ATOM 603 O ALA A 38 -5.856 3.309 9.315 1.00 72.35 O ATOM 604 CB ALA A 38 -7.828 5.599 9.308 1.00 13.41 C ATOM 0 H ALA A 38 -7.044 4.849 11.631 1.00 74.20 H new ATOM 0 HA ALA A 38 -9.057 3.877 9.711 1.00 50.40 H new ATOM 0 HB1 ALA A 38 -8.003 5.571 8.232 1.00 13.41 H new ATOM 0 HB2 ALA A 38 -8.530 6.292 9.772 1.00 13.41 H new ATOM 0 HB3 ALA A 38 -6.808 5.932 9.502 1.00 13.41 H new ATOM 610 N ASP A 39 -7.664 2.170 8.552 1.00 64.31 N ATOM 611 CA ASP A 39 -6.889 1.172 7.787 1.00 24.50 C ATOM 612 C ASP A 39 -6.211 1.801 6.551 1.00 51.11 C ATOM 613 O ASP A 39 -5.218 1.275 6.079 1.00 34.13 O ATOM 614 CB ASP A 39 -7.775 -0.018 7.381 1.00 23.32 C ATOM 615 CG ASP A 39 -8.350 -0.745 8.601 1.00 30.04 C ATOM 616 OD1 ASP A 39 -7.658 -1.613 9.177 1.00 24.21 O ATOM 617 OD2 ASP A 39 -9.477 -0.409 9.023 1.00 30.04 O ATOM 0 H ASP A 39 -8.673 2.020 8.524 1.00 64.31 H new ATOM 0 HA ASP A 39 -6.099 0.802 8.440 1.00 24.50 H new ATOM 0 HB2 ASP A 39 -8.591 0.336 6.751 1.00 23.32 H new ATOM 0 HB3 ASP A 39 -7.191 -0.718 6.783 1.00 23.32 H new ATOM 622 N LYS A 40 -6.769 2.927 6.042 1.00 3.45 N ATOM 623 CA LYS A 40 -6.164 3.730 4.931 1.00 25.10 C ATOM 624 C LYS A 40 -4.685 4.089 5.237 1.00 0.43 C ATOM 625 O LYS A 40 -3.817 4.013 4.365 1.00 61.05 O ATOM 626 CB LYS A 40 -6.972 5.048 4.742 1.00 64.12 C ATOM 627 CG LYS A 40 -8.468 4.867 4.405 1.00 5.51 C ATOM 628 CD LYS A 40 -8.715 4.327 2.978 1.00 64.21 C ATOM 629 CE LYS A 40 -10.215 4.239 2.635 1.00 53.05 C ATOM 630 NZ LYS A 40 -10.446 3.801 1.237 1.00 13.43 N ATOM 0 H LYS A 40 -7.650 3.310 6.384 1.00 3.45 H new ATOM 0 HA LYS A 40 -6.198 3.128 4.023 1.00 25.10 H new ATOM 0 HB2 LYS A 40 -6.892 5.637 5.656 1.00 64.12 H new ATOM 0 HB3 LYS A 40 -6.506 5.629 3.946 1.00 64.12 H new ATOM 0 HG2 LYS A 40 -8.915 4.183 5.127 1.00 5.51 H new ATOM 0 HG3 LYS A 40 -8.976 5.825 4.516 1.00 5.51 H new ATOM 0 HD2 LYS A 40 -8.217 4.975 2.256 1.00 64.21 H new ATOM 0 HD3 LYS A 40 -8.265 3.339 2.883 1.00 64.21 H new ATOM 0 HE2 LYS A 40 -10.702 3.542 3.317 1.00 53.05 H new ATOM 0 HE3 LYS A 40 -10.679 5.213 2.790 1.00 53.05 H new ATOM 0 HZ1 LYS A 40 -11.468 3.756 1.052 1.00 13.43 H new ATOM 0 HZ2 LYS A 40 -10.005 4.479 0.583 1.00 13.43 H new ATOM 0 HZ3 LYS A 40 -10.027 2.860 1.094 1.00 13.43 H new ATOM 644 N ASP A 41 -4.444 4.460 6.504 1.00 51.51 N ATOM 645 CA ASP A 41 -3.111 4.800 7.033 1.00 73.22 C ATOM 646 C ASP A 41 -2.234 3.514 7.120 1.00 32.03 C ATOM 647 O ASP A 41 -1.073 3.497 6.695 1.00 73.41 O ATOM 648 CB ASP A 41 -3.300 5.467 8.425 1.00 31.35 C ATOM 649 CG ASP A 41 -2.006 6.054 9.005 1.00 74.24 C ATOM 650 OD1 ASP A 41 -1.490 7.037 8.435 1.00 33.12 O ATOM 651 OD2 ASP A 41 -1.529 5.575 10.052 1.00 2.31 O ATOM 0 H ASP A 41 -5.183 4.534 7.204 1.00 51.51 H new ATOM 0 HA ASP A 41 -2.595 5.498 6.374 1.00 73.22 H new ATOM 0 HB2 ASP A 41 -4.043 6.260 8.341 1.00 31.35 H new ATOM 0 HB3 ASP A 41 -3.699 4.729 9.121 1.00 31.35 H new ATOM 656 N PHE A 42 -2.857 2.434 7.629 1.00 21.53 N ATOM 657 CA PHE A 42 -2.236 1.088 7.783 1.00 45.41 C ATOM 658 C PHE A 42 -1.701 0.503 6.439 1.00 35.41 C ATOM 659 O PHE A 42 -0.602 -0.050 6.401 1.00 3.50 O ATOM 660 CB PHE A 42 -3.279 0.128 8.442 1.00 64.23 C ATOM 661 CG PHE A 42 -2.930 -1.363 8.391 1.00 0.34 C ATOM 662 CD1 PHE A 42 -1.963 -1.902 9.235 1.00 0.23 C ATOM 663 CD2 PHE A 42 -3.559 -2.221 7.482 1.00 12.33 C ATOM 664 CE1 PHE A 42 -1.637 -3.241 9.173 1.00 32.24 C ATOM 665 CE2 PHE A 42 -3.229 -3.560 7.426 1.00 62.15 C ATOM 666 CZ PHE A 42 -2.269 -4.070 8.271 1.00 54.13 C ATOM 0 H PHE A 42 -3.824 2.464 7.953 1.00 21.53 H new ATOM 0 HA PHE A 42 -1.361 1.189 8.425 1.00 45.41 H new ATOM 0 HB2 PHE A 42 -3.405 0.418 9.485 1.00 64.23 H new ATOM 0 HB3 PHE A 42 -4.242 0.275 7.952 1.00 64.23 H new ATOM 0 HD1 PHE A 42 -1.462 -1.264 9.947 1.00 0.23 H new ATOM 0 HD2 PHE A 42 -4.313 -1.830 6.815 1.00 12.33 H new ATOM 0 HE1 PHE A 42 -0.883 -3.642 9.834 1.00 32.24 H new ATOM 0 HE2 PHE A 42 -3.724 -4.208 6.719 1.00 62.15 H new ATOM 0 HZ PHE A 42 -2.012 -5.118 8.227 1.00 54.13 H new ATOM 676 N PHE A 43 -2.491 0.622 5.353 1.00 25.41 N ATOM 677 CA PHE A 43 -2.151 0.041 4.020 1.00 72.44 C ATOM 678 C PHE A 43 -0.871 0.661 3.412 1.00 53.23 C ATOM 679 O PHE A 43 -0.137 -0.020 2.691 1.00 14.53 O ATOM 680 CB PHE A 43 -3.332 0.191 3.026 1.00 71.04 C ATOM 681 CG PHE A 43 -4.627 -0.510 3.453 1.00 3.41 C ATOM 682 CD1 PHE A 43 -4.608 -1.818 3.940 1.00 3.33 C ATOM 683 CD2 PHE A 43 -5.856 0.140 3.372 1.00 1.44 C ATOM 684 CE1 PHE A 43 -5.777 -2.445 4.331 1.00 13.43 C ATOM 685 CE2 PHE A 43 -7.023 -0.485 3.761 1.00 41.14 C ATOM 686 CZ PHE A 43 -6.982 -1.778 4.244 1.00 4.11 C ATOM 0 H PHE A 43 -3.381 1.120 5.365 1.00 25.41 H new ATOM 0 HA PHE A 43 -1.958 -1.018 4.189 1.00 72.44 H new ATOM 0 HB2 PHE A 43 -3.539 1.252 2.887 1.00 71.04 H new ATOM 0 HB3 PHE A 43 -3.025 -0.203 2.057 1.00 71.04 H new ATOM 0 HD1 PHE A 43 -3.669 -2.347 4.012 1.00 3.33 H new ATOM 0 HD2 PHE A 43 -5.896 1.152 2.998 1.00 1.44 H new ATOM 0 HE1 PHE A 43 -5.747 -3.458 4.705 1.00 13.43 H new ATOM 0 HE2 PHE A 43 -7.966 0.036 3.688 1.00 41.14 H new ATOM 0 HZ PHE A 43 -7.893 -2.268 4.554 1.00 4.11 H new ATOM 696 N LEU A 44 -0.627 1.956 3.692 1.00 40.10 N ATOM 697 CA LEU A 44 0.620 2.651 3.278 1.00 62.34 C ATOM 698 C LEU A 44 1.859 2.040 3.985 1.00 75.44 C ATOM 699 O LEU A 44 2.895 1.812 3.349 1.00 31.42 O ATOM 700 CB LEU A 44 0.520 4.189 3.552 1.00 50.23 C ATOM 701 CG LEU A 44 -0.170 5.052 2.439 1.00 32.03 C ATOM 702 CD1 LEU A 44 -1.595 4.559 2.101 1.00 73.35 C ATOM 703 CD2 LEU A 44 -0.184 6.549 2.829 1.00 2.41 C ATOM 0 H LEU A 44 -1.278 2.550 4.206 1.00 40.10 H new ATOM 0 HA LEU A 44 0.743 2.508 2.204 1.00 62.34 H new ATOM 0 HB2 LEU A 44 -0.025 4.335 4.485 1.00 50.23 H new ATOM 0 HB3 LEU A 44 1.528 4.575 3.708 1.00 50.23 H new ATOM 0 HG LEU A 44 0.428 4.932 1.535 1.00 32.03 H new ATOM 0 HD11 LEU A 44 -2.025 5.193 1.325 1.00 73.35 H new ATOM 0 HD12 LEU A 44 -1.549 3.530 1.745 1.00 73.35 H new ATOM 0 HD13 LEU A 44 -2.218 4.606 2.994 1.00 73.35 H new ATOM 0 HD21 LEU A 44 -0.668 7.126 2.041 1.00 2.41 H new ATOM 0 HD22 LEU A 44 -0.734 6.677 3.762 1.00 2.41 H new ATOM 0 HD23 LEU A 44 0.839 6.900 2.960 1.00 2.41 H new ATOM 715 N GLY A 45 1.724 1.769 5.301 1.00 73.23 N ATOM 716 CA GLY A 45 2.798 1.141 6.088 1.00 4.05 C ATOM 717 C GLY A 45 3.072 -0.316 5.692 1.00 75.52 C ATOM 718 O GLY A 45 4.213 -0.694 5.448 1.00 42.50 O ATOM 0 H GLY A 45 0.881 1.976 5.837 1.00 73.23 H new ATOM 0 HA2 GLY A 45 3.713 1.721 5.967 1.00 4.05 H new ATOM 0 HA3 GLY A 45 2.534 1.179 7.145 1.00 4.05 H new ATOM 722 N LEU A 46 1.997 -1.120 5.599 1.00 3.34 N ATOM 723 CA LEU A 46 2.065 -2.551 5.197 1.00 11.15 C ATOM 724 C LEU A 46 2.544 -2.707 3.727 1.00 73.12 C ATOM 725 O LEU A 46 3.224 -3.679 3.370 1.00 64.00 O ATOM 726 CB LEU A 46 0.673 -3.223 5.376 1.00 14.11 C ATOM 727 CG LEU A 46 0.615 -4.751 5.048 1.00 1.42 C ATOM 728 CD1 LEU A 46 1.534 -5.558 5.992 1.00 4.22 C ATOM 729 CD2 LEU A 46 -0.836 -5.291 5.063 1.00 43.41 C ATOM 0 H LEU A 46 1.049 -0.801 5.800 1.00 3.34 H new ATOM 0 HA LEU A 46 2.792 -3.045 5.842 1.00 11.15 H new ATOM 0 HB2 LEU A 46 0.349 -3.078 6.407 1.00 14.11 H new ATOM 0 HB3 LEU A 46 -0.045 -2.705 4.740 1.00 14.11 H new ATOM 0 HG LEU A 46 0.988 -4.881 4.032 1.00 1.42 H new ATOM 0 HD11 LEU A 46 1.474 -6.617 5.741 1.00 4.22 H new ATOM 0 HD12 LEU A 46 2.563 -5.216 5.878 1.00 4.22 H new ATOM 0 HD13 LEU A 46 1.215 -5.411 7.024 1.00 4.22 H new ATOM 0 HD21 LEU A 46 -0.830 -6.356 4.830 1.00 43.41 H new ATOM 0 HD22 LEU A 46 -1.271 -5.138 6.051 1.00 43.41 H new ATOM 0 HD23 LEU A 46 -1.430 -4.760 4.319 1.00 43.41 H new ATOM 741 N GLY A 47 2.176 -1.723 2.898 1.00 2.44 N ATOM 742 CA GLY A 47 2.623 -1.652 1.499 1.00 54.44 C ATOM 743 C GLY A 47 4.122 -1.374 1.395 1.00 21.30 C ATOM 744 O GLY A 47 4.797 -1.832 0.462 1.00 42.41 O ATOM 0 H GLY A 47 1.563 -0.956 3.175 1.00 2.44 H new ATOM 0 HA2 GLY A 47 2.392 -2.591 0.996 1.00 54.44 H new ATOM 0 HA3 GLY A 47 2.071 -0.868 0.981 1.00 54.44 H new ATOM 748 N TRP A 48 4.644 -0.619 2.385 1.00 44.40 N ATOM 749 CA TRP A 48 6.085 -0.343 2.517 1.00 12.42 C ATOM 750 C TRP A 48 6.842 -1.601 3.047 1.00 13.44 C ATOM 751 O TRP A 48 8.016 -1.786 2.758 1.00 75.21 O ATOM 752 CB TRP A 48 6.316 0.888 3.436 1.00 42.44 C ATOM 753 CG TRP A 48 7.672 1.534 3.260 1.00 41.34 C ATOM 754 CD1 TRP A 48 8.844 1.207 3.884 1.00 4.03 C ATOM 755 CD2 TRP A 48 7.984 2.621 2.376 1.00 22.00 C ATOM 756 NE1 TRP A 48 9.857 2.015 3.441 1.00 50.31 N ATOM 757 CE2 TRP A 48 9.356 2.889 2.516 1.00 63.25 C ATOM 758 CE3 TRP A 48 7.234 3.382 1.476 1.00 62.34 C ATOM 759 CZ2 TRP A 48 9.993 3.892 1.797 1.00 44.41 C ATOM 760 CZ3 TRP A 48 7.866 4.379 0.763 1.00 55.44 C ATOM 761 CH2 TRP A 48 9.235 4.625 0.922 1.00 35.33 C ATOM 0 H TRP A 48 4.076 -0.185 3.113 1.00 44.40 H new ATOM 0 HA TRP A 48 6.488 -0.108 1.532 1.00 12.42 H new ATOM 0 HB2 TRP A 48 5.542 1.629 3.237 1.00 42.44 H new ATOM 0 HB3 TRP A 48 6.202 0.580 4.475 1.00 42.44 H new ATOM 0 HD1 TRP A 48 8.955 0.424 4.620 1.00 4.03 H new ATOM 0 HE1 TRP A 48 10.828 1.972 3.751 1.00 50.31 H new ATOM 0 HE3 TRP A 48 6.179 3.193 1.341 1.00 62.34 H new ATOM 0 HZ2 TRP A 48 11.048 4.087 1.923 1.00 44.41 H new ATOM 0 HZ3 TRP A 48 7.295 4.980 0.070 1.00 55.44 H new ATOM 0 HH2 TRP A 48 9.703 5.408 0.344 1.00 35.33 H new ATOM 772 N LEU A 49 6.151 -2.464 3.820 1.00 30.30 N ATOM 773 CA LEU A 49 6.688 -3.797 4.234 1.00 53.53 C ATOM 774 C LEU A 49 6.893 -4.727 3.010 1.00 72.11 C ATOM 775 O LEU A 49 7.874 -5.480 2.952 1.00 3.11 O ATOM 776 CB LEU A 49 5.750 -4.479 5.284 1.00 73.11 C ATOM 777 CG LEU A 49 5.979 -4.116 6.789 1.00 75.14 C ATOM 778 CD1 LEU A 49 6.117 -2.619 6.989 1.00 43.24 C ATOM 779 CD2 LEU A 49 4.842 -4.658 7.676 1.00 63.12 C ATOM 0 H LEU A 49 5.215 -2.269 4.176 1.00 30.30 H new ATOM 0 HA LEU A 49 7.660 -3.627 4.698 1.00 53.53 H new ATOM 0 HB2 LEU A 49 4.720 -4.230 5.029 1.00 73.11 H new ATOM 0 HB3 LEU A 49 5.852 -5.559 5.177 1.00 73.11 H new ATOM 0 HG LEU A 49 6.913 -4.591 7.088 1.00 75.14 H new ATOM 0 HD11 LEU A 49 6.275 -2.406 8.046 1.00 43.24 H new ATOM 0 HD12 LEU A 49 6.967 -2.252 6.414 1.00 43.24 H new ATOM 0 HD13 LEU A 49 5.208 -2.121 6.650 1.00 43.24 H new ATOM 0 HD21 LEU A 49 5.031 -4.389 8.715 1.00 63.12 H new ATOM 0 HD22 LEU A 49 3.894 -4.226 7.356 1.00 63.12 H new ATOM 0 HD23 LEU A 49 4.795 -5.743 7.585 1.00 63.12 H new ATOM 791 N LEU A 50 5.948 -4.671 2.048 1.00 53.43 N ATOM 792 CA LEU A 50 6.079 -5.374 0.747 1.00 44.13 C ATOM 793 C LEU A 50 7.188 -4.739 -0.120 1.00 0.52 C ATOM 794 O LEU A 50 7.897 -5.446 -0.841 1.00 22.24 O ATOM 795 CB LEU A 50 4.729 -5.372 -0.025 1.00 20.52 C ATOM 796 CG LEU A 50 3.616 -6.295 0.555 1.00 45.31 C ATOM 797 CD1 LEU A 50 2.301 -6.174 -0.256 1.00 53.32 C ATOM 798 CD2 LEU A 50 4.115 -7.762 0.626 1.00 30.21 C ATOM 0 H LEU A 50 5.080 -4.144 2.146 1.00 53.43 H new ATOM 0 HA LEU A 50 6.357 -6.407 0.959 1.00 44.13 H new ATOM 0 HB2 LEU A 50 4.350 -4.351 -0.053 1.00 20.52 H new ATOM 0 HB3 LEU A 50 4.921 -5.669 -1.056 1.00 20.52 H new ATOM 0 HG LEU A 50 3.392 -5.966 1.570 1.00 45.31 H new ATOM 0 HD11 LEU A 50 1.546 -6.831 0.175 1.00 53.32 H new ATOM 0 HD12 LEU A 50 1.947 -5.144 -0.224 1.00 53.32 H new ATOM 0 HD13 LEU A 50 2.484 -6.462 -1.291 1.00 53.32 H new ATOM 0 HD21 LEU A 50 3.327 -8.395 1.033 1.00 30.21 H new ATOM 0 HD22 LEU A 50 4.376 -8.106 -0.375 1.00 30.21 H new ATOM 0 HD23 LEU A 50 4.993 -7.817 1.269 1.00 30.21 H new ATOM 810 N ARG A 51 7.321 -3.400 -0.020 1.00 24.33 N ATOM 811 CA ARG A 51 8.381 -2.616 -0.703 1.00 53.00 C ATOM 812 C ARG A 51 9.792 -3.080 -0.241 1.00 72.30 C ATOM 813 O ARG A 51 10.706 -3.234 -1.062 1.00 74.35 O ATOM 814 CB ARG A 51 8.128 -1.059 -0.477 1.00 23.33 C ATOM 815 CG ARG A 51 9.278 -0.227 0.177 1.00 2.33 C ATOM 816 CD ARG A 51 10.393 0.179 -0.808 1.00 61.33 C ATOM 817 NE ARG A 51 11.641 0.522 -0.115 1.00 5.20 N ATOM 818 CZ ARG A 51 12.852 0.212 -0.530 1.00 42.52 C ATOM 819 NH1 ARG A 51 13.049 -0.404 -1.658 1.00 50.15 N ATOM 820 NH2 ARG A 51 13.858 0.512 0.208 1.00 2.13 N ATOM 0 H ARG A 51 6.693 -2.824 0.541 1.00 24.33 H new ATOM 0 HA ARG A 51 8.340 -2.796 -1.777 1.00 53.00 H new ATOM 0 HB2 ARG A 51 7.898 -0.612 -1.444 1.00 23.33 H new ATOM 0 HB3 ARG A 51 7.239 -0.950 0.144 1.00 23.33 H new ATOM 0 HG2 ARG A 51 8.854 0.673 0.622 1.00 2.33 H new ATOM 0 HG3 ARG A 51 9.717 -0.807 0.988 1.00 2.33 H new ATOM 0 HD2 ARG A 51 10.578 -0.639 -1.504 1.00 61.33 H new ATOM 0 HD3 ARG A 51 10.061 1.032 -1.400 1.00 61.33 H new ATOM 0 HE ARG A 51 11.564 1.043 0.759 1.00 5.20 H new ATOM 0 HH11 ARG A 51 12.255 -0.659 -2.245 1.00 50.15 H new ATOM 0 HH12 ARG A 51 13.998 -0.632 -1.956 1.00 50.15 H new ATOM 0 HH21 ARG A 51 13.713 0.983 1.101 1.00 2.13 H new ATOM 0 HH22 ARG A 51 14.803 0.279 -0.098 1.00 2.13 H new ATOM 834 N GLU A 52 9.937 -3.318 1.072 1.00 25.24 N ATOM 835 CA GLU A 52 11.209 -3.764 1.680 1.00 61.23 C ATOM 836 C GLU A 52 11.410 -5.300 1.560 1.00 73.32 C ATOM 837 O GLU A 52 12.500 -5.799 1.857 1.00 72.54 O ATOM 838 CB GLU A 52 11.229 -3.363 3.178 1.00 31.22 C ATOM 839 CG GLU A 52 11.104 -1.851 3.495 1.00 30.40 C ATOM 840 CD GLU A 52 12.309 -0.979 3.081 1.00 63.04 C ATOM 841 OE1 GLU A 52 13.461 -1.462 3.114 1.00 45.11 O ATOM 842 OE2 GLU A 52 12.105 0.213 2.754 1.00 53.32 O ATOM 0 H GLU A 52 9.179 -3.208 1.745 1.00 25.24 H new ATOM 0 HA GLU A 52 12.022 -3.279 1.139 1.00 61.23 H new ATOM 0 HB2 GLU A 52 10.415 -3.885 3.681 1.00 31.22 H new ATOM 0 HB3 GLU A 52 12.159 -3.727 3.615 1.00 31.22 H new ATOM 0 HG2 GLU A 52 10.213 -1.467 2.998 1.00 30.40 H new ATOM 0 HG3 GLU A 52 10.946 -1.735 4.567 1.00 30.40 H new ATOM 849 N ASP A 53 10.331 -6.022 1.159 1.00 44.32 N ATOM 850 CA ASP A 53 10.282 -7.511 1.040 1.00 35.50 C ATOM 851 C ASP A 53 10.302 -8.221 2.429 1.00 52.33 C ATOM 852 O ASP A 53 10.549 -9.431 2.513 1.00 74.13 O ATOM 853 CB ASP A 53 11.415 -8.069 0.124 1.00 40.31 C ATOM 854 CG ASP A 53 11.356 -7.526 -1.310 1.00 73.11 C ATOM 855 OD1 ASP A 53 10.541 -8.018 -2.116 1.00 3.52 O ATOM 856 OD2 ASP A 53 12.131 -6.601 -1.645 1.00 11.22 O ATOM 0 H ASP A 53 9.449 -5.579 0.903 1.00 44.32 H new ATOM 0 HA ASP A 53 9.327 -7.738 0.566 1.00 35.50 H new ATOM 0 HB2 ASP A 53 12.382 -7.819 0.561 1.00 40.31 H new ATOM 0 HB3 ASP A 53 11.349 -9.157 0.097 1.00 40.31 H new ATOM 861 N LYS A 54 9.968 -7.473 3.500 1.00 3.43 N ATOM 862 CA LYS A 54 10.051 -7.970 4.897 1.00 72.10 C ATOM 863 C LYS A 54 8.864 -8.870 5.310 1.00 62.53 C ATOM 864 O LYS A 54 8.948 -9.540 6.346 1.00 31.35 O ATOM 865 CB LYS A 54 10.152 -6.783 5.888 1.00 54.42 C ATOM 866 CG LYS A 54 11.437 -5.943 5.748 1.00 12.55 C ATOM 867 CD LYS A 54 11.550 -4.828 6.817 1.00 71.14 C ATOM 868 CE LYS A 54 10.367 -3.838 6.797 1.00 10.15 C ATOM 869 NZ LYS A 54 10.500 -2.807 7.844 1.00 53.21 N ATOM 0 H LYS A 54 9.634 -6.512 3.427 1.00 3.43 H new ATOM 0 HA LYS A 54 10.950 -8.585 4.937 1.00 72.10 H new ATOM 0 HB2 LYS A 54 9.290 -6.132 5.745 1.00 54.42 H new ATOM 0 HB3 LYS A 54 10.094 -7.169 6.906 1.00 54.42 H new ATOM 0 HG2 LYS A 54 12.304 -6.600 5.823 1.00 12.55 H new ATOM 0 HG3 LYS A 54 11.463 -5.492 4.756 1.00 12.55 H new ATOM 0 HD2 LYS A 54 11.614 -5.286 7.804 1.00 71.14 H new ATOM 0 HD3 LYS A 54 12.478 -4.277 6.660 1.00 71.14 H new ATOM 0 HE2 LYS A 54 10.310 -3.359 5.820 1.00 10.15 H new ATOM 0 HE3 LYS A 54 9.434 -4.383 6.940 1.00 10.15 H new ATOM 0 HZ1 LYS A 54 9.687 -2.160 7.800 1.00 53.21 H new ATOM 0 HZ2 LYS A 54 10.529 -3.263 8.778 1.00 53.21 H new ATOM 0 HZ3 LYS A 54 11.378 -2.270 7.693 1.00 53.21 H new ATOM 883 N VAL A 55 7.749 -8.879 4.536 1.00 12.34 N ATOM 884 CA VAL A 55 6.535 -9.668 4.911 1.00 4.42 C ATOM 885 C VAL A 55 5.963 -10.498 3.747 1.00 13.32 C ATOM 886 O VAL A 55 6.133 -10.167 2.572 1.00 61.14 O ATOM 887 CB VAL A 55 5.373 -8.785 5.510 1.00 13.14 C ATOM 888 CG1 VAL A 55 5.834 -8.045 6.785 1.00 72.13 C ATOM 889 CG2 VAL A 55 4.783 -7.808 4.456 1.00 52.14 C ATOM 0 H VAL A 55 7.660 -8.360 3.662 1.00 12.34 H new ATOM 0 HA VAL A 55 6.900 -10.344 5.684 1.00 4.42 H new ATOM 0 HB VAL A 55 4.566 -9.460 5.796 1.00 13.14 H new ATOM 0 HG11 VAL A 55 5.012 -7.445 7.175 1.00 72.13 H new ATOM 0 HG12 VAL A 55 6.141 -8.772 7.537 1.00 72.13 H new ATOM 0 HG13 VAL A 55 6.675 -7.395 6.544 1.00 72.13 H new ATOM 0 HG21 VAL A 55 3.986 -7.220 4.911 1.00 52.14 H new ATOM 0 HG22 VAL A 55 5.568 -7.141 4.099 1.00 52.14 H new ATOM 0 HG23 VAL A 55 4.381 -8.377 3.618 1.00 52.14 H new ATOM 899 N VAL A 56 5.269 -11.584 4.121 1.00 71.21 N ATOM 900 CA VAL A 56 4.485 -12.419 3.205 1.00 73.43 C ATOM 901 C VAL A 56 2.981 -12.127 3.412 1.00 11.14 C ATOM 902 O VAL A 56 2.487 -12.132 4.547 1.00 31.24 O ATOM 903 CB VAL A 56 4.810 -13.959 3.384 1.00 2.12 C ATOM 904 CG1 VAL A 56 4.596 -14.444 4.844 1.00 22.22 C ATOM 905 CG2 VAL A 56 4.005 -14.824 2.375 1.00 10.43 C ATOM 0 H VAL A 56 5.238 -11.910 5.087 1.00 71.21 H new ATOM 0 HA VAL A 56 4.759 -12.167 2.180 1.00 73.43 H new ATOM 0 HB VAL A 56 5.870 -14.086 3.165 1.00 2.12 H new ATOM 0 HG11 VAL A 56 4.832 -15.506 4.913 1.00 22.22 H new ATOM 0 HG12 VAL A 56 5.248 -13.883 5.513 1.00 22.22 H new ATOM 0 HG13 VAL A 56 3.557 -14.284 5.132 1.00 22.22 H new ATOM 0 HG21 VAL A 56 4.249 -15.876 2.522 1.00 10.43 H new ATOM 0 HG22 VAL A 56 2.938 -14.673 2.537 1.00 10.43 H new ATOM 0 HG23 VAL A 56 4.263 -14.530 1.357 1.00 10.43 H new ATOM 915 N THR A 57 2.261 -11.862 2.313 1.00 51.31 N ATOM 916 CA THR A 57 0.836 -11.489 2.353 1.00 73.51 C ATOM 917 C THR A 57 -0.073 -12.676 1.987 1.00 2.12 C ATOM 918 O THR A 57 0.169 -13.407 1.018 1.00 21.11 O ATOM 919 CB THR A 57 0.524 -10.279 1.403 1.00 55.22 C ATOM 920 OG1 THR A 57 1.143 -10.485 0.116 1.00 54.32 O ATOM 921 CG2 THR A 57 0.985 -8.941 2.000 1.00 40.42 C ATOM 0 H THR A 57 2.648 -11.900 1.370 1.00 51.31 H new ATOM 0 HA THR A 57 0.626 -11.190 3.380 1.00 73.51 H new ATOM 0 HB THR A 57 -0.558 -10.229 1.284 1.00 55.22 H new ATOM 0 HG1 THR A 57 0.941 -9.726 -0.470 1.00 54.32 H new ATOM 0 HG21 THR A 57 0.748 -8.133 1.308 1.00 40.42 H new ATOM 0 HG22 THR A 57 0.473 -8.769 2.947 1.00 40.42 H new ATOM 0 HG23 THR A 57 2.061 -8.970 2.170 1.00 40.42 H new ATOM 929 N SER A 58 -1.115 -12.838 2.800 1.00 31.32 N ATOM 930 CA SER A 58 -2.180 -13.841 2.626 1.00 52.40 C ATOM 931 C SER A 58 -3.506 -13.236 3.131 1.00 13.31 C ATOM 932 O SER A 58 -3.512 -12.139 3.707 1.00 51.52 O ATOM 933 CB SER A 58 -1.839 -15.144 3.395 1.00 62.02 C ATOM 934 OG SER A 58 -2.836 -16.146 3.213 1.00 13.23 O ATOM 0 H SER A 58 -1.252 -12.258 3.628 1.00 31.32 H new ATOM 0 HA SER A 58 -2.273 -14.102 1.572 1.00 52.40 H new ATOM 0 HB2 SER A 58 -0.876 -15.525 3.055 1.00 62.02 H new ATOM 0 HB3 SER A 58 -1.737 -14.922 4.457 1.00 62.02 H new ATOM 0 HG SER A 58 -2.585 -16.952 3.711 1.00 13.23 H new ATOM 940 N GLU A 59 -4.624 -13.925 2.902 1.00 24.24 N ATOM 941 CA GLU A 59 -5.946 -13.472 3.378 1.00 32.33 C ATOM 942 C GLU A 59 -6.625 -14.599 4.181 1.00 42.25 C ATOM 943 O GLU A 59 -6.865 -15.690 3.656 1.00 33.11 O ATOM 944 CB GLU A 59 -6.834 -13.012 2.189 1.00 22.22 C ATOM 945 CG GLU A 59 -8.180 -12.391 2.617 1.00 63.03 C ATOM 946 CD GLU A 59 -9.034 -11.905 1.435 1.00 53.43 C ATOM 947 OE1 GLU A 59 -8.619 -10.946 0.751 1.00 41.11 O ATOM 948 OE2 GLU A 59 -10.125 -12.461 1.202 1.00 52.32 O ATOM 0 H GLU A 59 -4.648 -14.805 2.387 1.00 24.24 H new ATOM 0 HA GLU A 59 -5.811 -12.612 4.035 1.00 32.33 H new ATOM 0 HB2 GLU A 59 -6.281 -12.283 1.596 1.00 22.22 H new ATOM 0 HB3 GLU A 59 -7.029 -13.867 1.542 1.00 22.22 H new ATOM 0 HG2 GLU A 59 -8.747 -13.128 3.186 1.00 63.03 H new ATOM 0 HG3 GLU A 59 -7.988 -11.552 3.285 1.00 63.03 H new ATOM 955 N VAL A 60 -6.920 -14.313 5.458 1.00 23.33 N ATOM 956 CA VAL A 60 -7.594 -15.245 6.380 1.00 4.21 C ATOM 957 C VAL A 60 -9.064 -14.816 6.576 1.00 41.02 C ATOM 958 O VAL A 60 -9.345 -13.761 7.158 1.00 75.54 O ATOM 959 CB VAL A 60 -6.842 -15.330 7.767 1.00 32.42 C ATOM 960 CG1 VAL A 60 -7.676 -16.063 8.857 1.00 0.12 C ATOM 961 CG2 VAL A 60 -5.472 -16.022 7.583 1.00 51.44 C ATOM 0 H VAL A 60 -6.695 -13.416 5.887 1.00 23.33 H new ATOM 0 HA VAL A 60 -7.572 -16.241 5.939 1.00 4.21 H new ATOM 0 HB VAL A 60 -6.694 -14.308 8.117 1.00 32.42 H new ATOM 0 HG11 VAL A 60 -7.111 -16.092 9.789 1.00 0.12 H new ATOM 0 HG12 VAL A 60 -8.613 -15.530 9.017 1.00 0.12 H new ATOM 0 HG13 VAL A 60 -7.888 -17.081 8.529 1.00 0.12 H new ATOM 0 HG21 VAL A 60 -4.960 -16.077 8.544 1.00 51.44 H new ATOM 0 HG22 VAL A 60 -5.622 -17.029 7.194 1.00 51.44 H new ATOM 0 HG23 VAL A 60 -4.866 -15.449 6.881 1.00 51.44 H new ATOM 971 N GLU A 61 -9.973 -15.646 6.024 1.00 42.44 N ATOM 972 CA GLU A 61 -11.441 -15.572 6.224 1.00 12.01 C ATOM 973 C GLU A 61 -12.040 -14.151 5.961 1.00 44.01 C ATOM 974 O GLU A 61 -12.925 -13.680 6.692 1.00 11.44 O ATOM 975 CB GLU A 61 -11.794 -16.110 7.647 1.00 73.30 C ATOM 976 CG GLU A 61 -11.183 -17.494 7.968 1.00 21.14 C ATOM 977 CD GLU A 61 -11.612 -18.047 9.337 1.00 45.20 C ATOM 978 OE1 GLU A 61 -11.001 -17.668 10.358 1.00 44.43 O ATOM 979 OE2 GLU A 61 -12.556 -18.868 9.397 1.00 42.44 O ATOM 0 H GLU A 61 -9.700 -16.411 5.407 1.00 42.44 H new ATOM 0 HA GLU A 61 -11.911 -16.207 5.473 1.00 12.01 H new ATOM 0 HB2 GLU A 61 -11.450 -15.391 8.391 1.00 73.30 H new ATOM 0 HB3 GLU A 61 -12.878 -16.173 7.742 1.00 73.30 H new ATOM 0 HG2 GLU A 61 -11.474 -18.201 7.191 1.00 21.14 H new ATOM 0 HG3 GLU A 61 -10.096 -17.419 7.939 1.00 21.14 H new ATOM 986 N GLY A 62 -11.561 -13.499 4.882 1.00 61.40 N ATOM 987 CA GLY A 62 -12.075 -12.184 4.450 1.00 63.11 C ATOM 988 C GLY A 62 -11.311 -10.968 4.999 1.00 60.42 C ATOM 989 O GLY A 62 -11.763 -9.832 4.820 1.00 25.45 O ATOM 0 H GLY A 62 -10.814 -13.865 4.291 1.00 61.40 H new ATOM 0 HA2 GLY A 62 -12.054 -12.144 3.361 1.00 63.11 H new ATOM 0 HA3 GLY A 62 -13.119 -12.103 4.752 1.00 63.11 H new ATOM 993 N GLU A 63 -10.163 -11.191 5.667 1.00 14.04 N ATOM 994 CA GLU A 63 -9.300 -10.091 6.185 1.00 4.21 C ATOM 995 C GLU A 63 -7.806 -10.379 5.890 1.00 4.55 C ATOM 996 O GLU A 63 -7.410 -11.535 5.778 1.00 53.24 O ATOM 997 CB GLU A 63 -9.528 -9.907 7.713 1.00 44.33 C ATOM 998 CG GLU A 63 -8.876 -8.640 8.299 1.00 32.32 C ATOM 999 CD GLU A 63 -9.098 -8.464 9.805 1.00 21.44 C ATOM 1000 OE1 GLU A 63 -10.221 -8.109 10.203 1.00 44.34 O ATOM 1001 OE2 GLU A 63 -8.152 -8.677 10.596 1.00 22.42 O ATOM 0 H GLU A 63 -9.803 -12.125 5.866 1.00 14.04 H new ATOM 0 HA GLU A 63 -9.574 -9.167 5.675 1.00 4.21 H new ATOM 0 HB2 GLU A 63 -10.600 -9.874 7.908 1.00 44.33 H new ATOM 0 HB3 GLU A 63 -9.135 -10.779 8.236 1.00 44.33 H new ATOM 0 HG2 GLU A 63 -7.805 -8.671 8.101 1.00 32.32 H new ATOM 0 HG3 GLU A 63 -9.271 -7.767 7.779 1.00 32.32 H new ATOM 1008 N ILE A 64 -6.976 -9.313 5.800 1.00 74.52 N ATOM 1009 CA ILE A 64 -5.542 -9.435 5.451 1.00 3.12 C ATOM 1010 C ILE A 64 -4.719 -9.945 6.665 1.00 72.34 C ATOM 1011 O ILE A 64 -4.832 -9.415 7.774 1.00 54.34 O ATOM 1012 CB ILE A 64 -4.949 -8.060 4.950 1.00 30.42 C ATOM 1013 CG1 ILE A 64 -5.796 -7.495 3.759 1.00 2.04 C ATOM 1014 CG2 ILE A 64 -3.450 -8.198 4.554 1.00 15.12 C ATOM 1015 CD1 ILE A 64 -5.387 -6.106 3.280 1.00 62.22 C ATOM 0 H ILE A 64 -7.279 -8.353 5.966 1.00 74.52 H new ATOM 0 HA ILE A 64 -5.469 -10.159 4.639 1.00 3.12 H new ATOM 0 HB ILE A 64 -5.005 -7.351 5.776 1.00 30.42 H new ATOM 0 HG12 ILE A 64 -5.724 -8.188 2.921 1.00 2.04 H new ATOM 0 HG13 ILE A 64 -6.843 -7.466 4.059 1.00 2.04 H new ATOM 0 HG21 ILE A 64 -3.073 -7.233 4.214 1.00 15.12 H new ATOM 0 HG22 ILE A 64 -2.874 -8.528 5.419 1.00 15.12 H new ATOM 0 HG23 ILE A 64 -3.351 -8.929 3.752 1.00 15.12 H new ATOM 0 HD11 ILE A 64 -6.030 -5.802 2.454 1.00 62.22 H new ATOM 0 HD12 ILE A 64 -5.487 -5.394 4.100 1.00 62.22 H new ATOM 0 HD13 ILE A 64 -4.351 -6.128 2.943 1.00 62.22 H new ATOM 1027 N PHE A 65 -3.892 -10.977 6.423 1.00 42.31 N ATOM 1028 CA PHE A 65 -2.990 -11.586 7.429 1.00 33.54 C ATOM 1029 C PHE A 65 -1.554 -11.662 6.865 1.00 53.11 C ATOM 1030 O PHE A 65 -1.338 -12.182 5.761 1.00 73.12 O ATOM 1031 CB PHE A 65 -3.503 -12.999 7.808 1.00 13.31 C ATOM 1032 CG PHE A 65 -2.567 -13.808 8.720 1.00 42.55 C ATOM 1033 CD1 PHE A 65 -2.490 -13.546 10.083 1.00 4.35 C ATOM 1034 CD2 PHE A 65 -1.760 -14.829 8.206 1.00 54.24 C ATOM 1035 CE1 PHE A 65 -1.648 -14.268 10.903 1.00 11.31 C ATOM 1036 CE2 PHE A 65 -0.919 -15.548 9.029 1.00 70.15 C ATOM 1037 CZ PHE A 65 -0.863 -15.267 10.378 1.00 30.40 C ATOM 0 H PHE A 65 -3.827 -11.423 5.508 1.00 42.31 H new ATOM 0 HA PHE A 65 -2.979 -10.968 8.327 1.00 33.54 H new ATOM 0 HB2 PHE A 65 -4.469 -12.898 8.303 1.00 13.31 H new ATOM 0 HB3 PHE A 65 -3.672 -13.565 6.892 1.00 13.31 H new ATOM 0 HD1 PHE A 65 -3.101 -12.763 10.508 1.00 4.35 H new ATOM 0 HD2 PHE A 65 -1.796 -15.057 7.151 1.00 54.24 H new ATOM 0 HE1 PHE A 65 -1.605 -14.048 11.960 1.00 11.31 H new ATOM 0 HE2 PHE A 65 -0.303 -16.333 8.616 1.00 70.15 H new ATOM 0 HZ PHE A 65 -0.203 -15.831 11.021 1.00 30.40 H new ATOM 1047 N VAL A 66 -0.570 -11.173 7.640 1.00 74.14 N ATOM 1048 CA VAL A 66 0.847 -11.092 7.205 1.00 13.32 C ATOM 1049 C VAL A 66 1.815 -11.660 8.266 1.00 43.14 C ATOM 1050 O VAL A 66 1.528 -11.634 9.470 1.00 2.14 O ATOM 1051 CB VAL A 66 1.247 -9.610 6.848 1.00 1.21 C ATOM 1052 CG1 VAL A 66 0.478 -9.113 5.600 1.00 4.45 C ATOM 1053 CG2 VAL A 66 1.012 -8.664 8.054 1.00 53.32 C ATOM 0 H VAL A 66 -0.728 -10.822 8.585 1.00 74.14 H new ATOM 0 HA VAL A 66 0.935 -11.708 6.310 1.00 13.32 H new ATOM 0 HB VAL A 66 2.312 -9.599 6.614 1.00 1.21 H new ATOM 0 HG11 VAL A 66 0.773 -8.088 5.375 1.00 4.45 H new ATOM 0 HG12 VAL A 66 0.713 -9.753 4.749 1.00 4.45 H new ATOM 0 HG13 VAL A 66 -0.594 -9.148 5.795 1.00 4.45 H new ATOM 0 HG21 VAL A 66 1.296 -7.648 7.780 1.00 53.32 H new ATOM 0 HG22 VAL A 66 -0.042 -8.684 8.332 1.00 53.32 H new ATOM 0 HG23 VAL A 66 1.616 -8.995 8.899 1.00 53.32 H new ATOM 1063 N LYS A 67 2.965 -12.188 7.794 1.00 24.55 N ATOM 1064 CA LYS A 67 4.055 -12.714 8.665 1.00 73.15 C ATOM 1065 C LYS A 67 5.415 -12.208 8.155 1.00 33.14 C ATOM 1066 O LYS A 67 5.527 -11.824 7.001 1.00 52.54 O ATOM 1067 CB LYS A 67 4.064 -14.268 8.675 1.00 63.01 C ATOM 1068 CG LYS A 67 2.786 -14.933 9.220 1.00 34.40 C ATOM 1069 CD LYS A 67 2.906 -16.471 9.295 1.00 14.03 C ATOM 1070 CE LYS A 67 3.059 -17.130 7.915 1.00 12.42 C ATOM 1071 NZ LYS A 67 1.844 -16.945 7.082 1.00 51.54 N ATOM 0 H LYS A 67 3.170 -12.265 6.798 1.00 24.55 H new ATOM 0 HA LYS A 67 3.877 -12.359 9.680 1.00 73.15 H new ATOM 0 HB2 LYS A 67 4.230 -14.620 7.657 1.00 63.01 H new ATOM 0 HB3 LYS A 67 4.912 -14.606 9.271 1.00 63.01 H new ATOM 0 HG2 LYS A 67 2.571 -14.540 10.214 1.00 34.40 H new ATOM 0 HG3 LYS A 67 1.942 -14.668 8.583 1.00 34.40 H new ATOM 0 HD2 LYS A 67 3.764 -16.733 9.914 1.00 14.03 H new ATOM 0 HD3 LYS A 67 2.022 -16.875 9.788 1.00 14.03 H new ATOM 0 HE2 LYS A 67 3.921 -16.704 7.402 1.00 12.42 H new ATOM 0 HE3 LYS A 67 3.256 -18.195 8.040 1.00 12.42 H new ATOM 0 HZ1 LYS A 67 1.956 -17.460 6.185 1.00 51.54 H new ATOM 0 HZ2 LYS A 67 1.015 -17.313 7.591 1.00 51.54 H new ATOM 0 HZ3 LYS A 67 1.709 -15.933 6.886 1.00 51.54 H new ATOM 1085 N LEU A 68 6.455 -12.251 9.001 1.00 1.41 N ATOM 1086 CA LEU A 68 7.819 -11.834 8.599 1.00 42.24 C ATOM 1087 C LEU A 68 8.515 -12.919 7.744 1.00 23.12 C ATOM 1088 O LEU A 68 8.441 -14.113 8.063 1.00 61.13 O ATOM 1089 CB LEU A 68 8.686 -11.516 9.844 1.00 15.12 C ATOM 1090 CG LEU A 68 8.145 -10.406 10.794 1.00 14.12 C ATOM 1091 CD1 LEU A 68 9.159 -10.079 11.911 1.00 70.12 C ATOM 1092 CD2 LEU A 68 7.746 -9.142 10.003 1.00 22.01 C ATOM 0 H LEU A 68 6.384 -12.569 9.968 1.00 1.41 H new ATOM 0 HA LEU A 68 7.716 -10.933 7.994 1.00 42.24 H new ATOM 0 HB2 LEU A 68 8.805 -12.433 10.421 1.00 15.12 H new ATOM 0 HB3 LEU A 68 9.679 -11.222 9.504 1.00 15.12 H new ATOM 0 HG LEU A 68 7.245 -10.790 11.275 1.00 14.12 H new ATOM 0 HD11 LEU A 68 8.751 -9.301 12.556 1.00 70.12 H new ATOM 0 HD12 LEU A 68 9.352 -10.975 12.501 1.00 70.12 H new ATOM 0 HD13 LEU A 68 10.091 -9.730 11.466 1.00 70.12 H new ATOM 0 HD21 LEU A 68 7.372 -8.385 10.692 1.00 22.01 H new ATOM 0 HD22 LEU A 68 8.617 -8.754 9.474 1.00 22.01 H new ATOM 0 HD23 LEU A 68 6.967 -9.394 9.283 1.00 22.01 H new ATOM 1104 N VAL A 69 9.189 -12.491 6.655 1.00 12.23 N ATOM 1105 CA VAL A 69 10.044 -13.379 5.832 1.00 44.52 C ATOM 1106 C VAL A 69 11.415 -13.576 6.529 1.00 2.32 C ATOM 1107 O VAL A 69 12.416 -12.920 6.207 1.00 34.32 O ATOM 1108 CB VAL A 69 10.232 -12.837 4.356 1.00 11.33 C ATOM 1109 CG1 VAL A 69 11.098 -13.799 3.486 1.00 63.44 C ATOM 1110 CG2 VAL A 69 8.865 -12.571 3.682 1.00 41.13 C ATOM 0 H VAL A 69 9.158 -11.527 6.322 1.00 12.23 H new ATOM 0 HA VAL A 69 9.540 -14.342 5.746 1.00 44.52 H new ATOM 0 HB VAL A 69 10.769 -11.891 4.430 1.00 11.33 H new ATOM 0 HG11 VAL A 69 11.201 -13.388 2.482 1.00 63.44 H new ATOM 0 HG12 VAL A 69 12.085 -13.908 3.936 1.00 63.44 H new ATOM 0 HG13 VAL A 69 10.615 -14.774 3.431 1.00 63.44 H new ATOM 0 HG21 VAL A 69 9.025 -12.200 2.670 1.00 41.13 H new ATOM 0 HG22 VAL A 69 8.292 -13.498 3.643 1.00 41.13 H new ATOM 0 HG23 VAL A 69 8.314 -11.828 4.258 1.00 41.13 H new ATOM 1302 N MET B 3 -0.248 -14.499 -5.853 1.00 41.24 N ATOM 1303 CA MET B 3 -0.423 -13.975 -4.470 1.00 10.44 C ATOM 1304 C MET B 3 -0.680 -12.453 -4.397 1.00 14.21 C ATOM 1305 O MET B 3 -0.592 -11.741 -5.398 1.00 64.54 O ATOM 1306 CB MET B 3 0.812 -14.361 -3.621 1.00 1.10 C ATOM 1307 CG MET B 3 1.038 -15.874 -3.438 1.00 64.11 C ATOM 1308 SD MET B 3 -0.231 -16.686 -2.420 1.00 53.42 S ATOM 1309 CE MET B 3 -1.501 -17.160 -3.599 1.00 51.11 C ATOM 0 HA MET B 3 -1.325 -14.437 -4.069 1.00 10.44 H new ATOM 0 HB2 MET B 3 1.700 -13.931 -4.085 1.00 1.10 H new ATOM 0 HB3 MET B 3 0.713 -13.903 -2.637 1.00 1.10 H new ATOM 0 HG2 MET B 3 1.063 -16.350 -4.418 1.00 64.11 H new ATOM 0 HG3 MET B 3 2.015 -16.034 -2.981 1.00 64.11 H new ATOM 0 HE1 MET B 3 -2.469 -16.792 -3.258 1.00 51.11 H new ATOM 0 HE2 MET B 3 -1.272 -16.729 -4.574 1.00 51.11 H new ATOM 0 HE3 MET B 3 -1.534 -18.246 -3.681 1.00 51.11 H new ATOM 1319 N LEU B 4 -0.955 -11.978 -3.161 1.00 2.11 N ATOM 1320 CA LEU B 4 -1.335 -10.575 -2.868 1.00 33.40 C ATOM 1321 C LEU B 4 -0.159 -9.590 -3.121 1.00 65.30 C ATOM 1322 O LEU B 4 -0.379 -8.413 -3.412 1.00 54.54 O ATOM 1323 CB LEU B 4 -1.857 -10.432 -1.402 1.00 73.01 C ATOM 1324 CG LEU B 4 -3.215 -11.138 -1.039 1.00 31.42 C ATOM 1325 CD1 LEU B 4 -3.110 -12.684 -1.045 1.00 4.02 C ATOM 1326 CD2 LEU B 4 -3.750 -10.627 0.325 1.00 12.03 C ATOM 0 H LEU B 4 -0.919 -12.565 -2.328 1.00 2.11 H new ATOM 0 HA LEU B 4 -2.141 -10.313 -3.554 1.00 33.40 H new ATOM 0 HB2 LEU B 4 -1.088 -10.819 -0.733 1.00 73.01 H new ATOM 0 HB3 LEU B 4 -1.963 -9.369 -1.186 1.00 73.01 H new ATOM 0 HG LEU B 4 -3.926 -10.872 -1.821 1.00 31.42 H new ATOM 0 HD11 LEU B 4 -4.077 -13.115 -0.787 1.00 4.02 H new ATOM 0 HD12 LEU B 4 -2.813 -13.025 -2.037 1.00 4.02 H new ATOM 0 HD13 LEU B 4 -2.365 -13.001 -0.315 1.00 4.02 H new ATOM 0 HD21 LEU B 4 -4.690 -11.128 0.558 1.00 12.03 H new ATOM 0 HD22 LEU B 4 -3.021 -10.843 1.106 1.00 12.03 H new ATOM 0 HD23 LEU B 4 -3.916 -9.551 0.271 1.00 12.03 H new ATOM 1338 N LYS B 5 1.085 -10.083 -3.008 1.00 44.34 N ATOM 1339 CA LYS B 5 2.290 -9.297 -3.370 1.00 70.42 C ATOM 1340 C LYS B 5 2.431 -9.196 -4.913 1.00 3.32 C ATOM 1341 O LYS B 5 2.813 -8.155 -5.449 1.00 3.43 O ATOM 1342 CB LYS B 5 3.567 -9.947 -2.768 1.00 30.12 C ATOM 1343 CG LYS B 5 4.881 -9.163 -3.035 1.00 55.15 C ATOM 1344 CD LYS B 5 6.163 -9.983 -2.748 1.00 51.40 C ATOM 1345 CE LYS B 5 7.459 -9.204 -3.072 1.00 43.14 C ATOM 1346 NZ LYS B 5 7.632 -8.003 -2.206 1.00 1.32 N ATOM 0 H LYS B 5 1.289 -11.023 -2.669 1.00 44.34 H new ATOM 0 HA LYS B 5 2.176 -8.294 -2.958 1.00 70.42 H new ATOM 0 HB2 LYS B 5 3.433 -10.049 -1.691 1.00 30.12 H new ATOM 0 HB3 LYS B 5 3.672 -10.953 -3.173 1.00 30.12 H new ATOM 0 HG2 LYS B 5 4.894 -8.836 -4.075 1.00 55.15 H new ATOM 0 HG3 LYS B 5 4.889 -8.264 -2.418 1.00 55.15 H new ATOM 0 HD2 LYS B 5 6.174 -10.276 -1.698 1.00 51.40 H new ATOM 0 HD3 LYS B 5 6.140 -10.901 -3.335 1.00 51.40 H new ATOM 0 HE2 LYS B 5 8.317 -9.864 -2.948 1.00 43.14 H new ATOM 0 HE3 LYS B 5 7.442 -8.895 -4.117 1.00 43.14 H new ATOM 0 HZ1 LYS B 5 8.646 -7.834 -2.045 1.00 1.32 H new ATOM 0 HZ2 LYS B 5 7.213 -7.174 -2.674 1.00 1.32 H new ATOM 0 HZ3 LYS B 5 7.159 -8.162 -1.294 1.00 1.32 H new ATOM 1360 N GLU B 6 2.108 -10.295 -5.615 1.00 64.31 N ATOM 1361 CA GLU B 6 2.320 -10.409 -7.075 1.00 21.00 C ATOM 1362 C GLU B 6 1.248 -9.642 -7.901 1.00 45.41 C ATOM 1363 O GLU B 6 1.584 -9.017 -8.919 1.00 14.22 O ATOM 1364 CB GLU B 6 2.390 -11.904 -7.480 1.00 35.52 C ATOM 1365 CG GLU B 6 2.681 -12.155 -8.975 1.00 14.35 C ATOM 1366 CD GLU B 6 3.146 -13.590 -9.279 1.00 70.14 C ATOM 1367 OE1 GLU B 6 2.342 -14.531 -9.143 1.00 73.33 O ATOM 1368 OE2 GLU B 6 4.333 -13.789 -9.629 1.00 1.13 O ATOM 0 H GLU B 6 1.695 -11.127 -5.193 1.00 64.31 H new ATOM 0 HA GLU B 6 3.272 -9.933 -7.310 1.00 21.00 H new ATOM 0 HB2 GLU B 6 3.164 -12.391 -6.887 1.00 35.52 H new ATOM 0 HB3 GLU B 6 1.444 -12.381 -7.223 1.00 35.52 H new ATOM 0 HG2 GLU B 6 1.781 -11.944 -9.552 1.00 14.35 H new ATOM 0 HG3 GLU B 6 3.446 -11.455 -9.310 1.00 14.35 H new ATOM 1375 N LYS B 7 -0.037 -9.678 -7.468 1.00 11.20 N ATOM 1376 CA LYS B 7 -1.119 -8.891 -8.131 1.00 71.30 C ATOM 1377 C LYS B 7 -0.875 -7.368 -8.005 1.00 73.12 C ATOM 1378 O LYS B 7 -1.322 -6.590 -8.848 1.00 74.13 O ATOM 1379 CB LYS B 7 -2.549 -9.308 -7.629 1.00 12.40 C ATOM 1380 CG LYS B 7 -2.791 -9.363 -6.093 1.00 45.31 C ATOM 1381 CD LYS B 7 -2.871 -7.987 -5.371 1.00 32.21 C ATOM 1382 CE LYS B 7 -4.056 -7.114 -5.812 1.00 1.40 C ATOM 1383 NZ LYS B 7 -5.368 -7.730 -5.488 1.00 15.31 N ATOM 0 H LYS B 7 -0.352 -10.235 -6.673 1.00 11.20 H new ATOM 0 HA LYS B 7 -1.084 -9.132 -9.193 1.00 71.30 H new ATOM 0 HB2 LYS B 7 -3.270 -8.612 -8.057 1.00 12.40 H new ATOM 0 HB3 LYS B 7 -2.774 -10.293 -8.039 1.00 12.40 H new ATOM 0 HG2 LYS B 7 -3.720 -9.903 -5.910 1.00 45.31 H new ATOM 0 HG3 LYS B 7 -1.989 -9.945 -5.638 1.00 45.31 H new ATOM 0 HD2 LYS B 7 -2.939 -8.156 -4.296 1.00 32.21 H new ATOM 0 HD3 LYS B 7 -1.945 -7.441 -5.550 1.00 32.21 H new ATOM 0 HE2 LYS B 7 -3.986 -6.140 -5.327 1.00 1.40 H new ATOM 0 HE3 LYS B 7 -3.995 -6.940 -6.886 1.00 1.40 H new ATOM 0 HZ1 LYS B 7 -6.117 -7.013 -5.566 1.00 15.31 H new ATOM 0 HZ2 LYS B 7 -5.561 -8.506 -6.153 1.00 15.31 H new ATOM 0 HZ3 LYS B 7 -5.346 -8.103 -4.517 1.00 15.31 H new ATOM 1397 N ALA B 8 -0.143 -6.969 -6.940 1.00 21.31 N ATOM 1398 CA ALA B 8 0.295 -5.572 -6.727 1.00 30.11 C ATOM 1399 C ALA B 8 1.150 -5.061 -7.908 1.00 34.11 C ATOM 1400 O ALA B 8 0.980 -3.934 -8.357 1.00 11.33 O ATOM 1401 CB ALA B 8 1.090 -5.469 -5.418 1.00 63.41 C ATOM 0 H ALA B 8 0.160 -7.607 -6.204 1.00 21.31 H new ATOM 0 HA ALA B 8 -0.594 -4.945 -6.663 1.00 30.11 H new ATOM 0 HB1 ALA B 8 1.410 -4.438 -5.267 1.00 63.41 H new ATOM 0 HB2 ALA B 8 0.460 -5.780 -4.584 1.00 63.41 H new ATOM 0 HB3 ALA B 8 1.965 -6.116 -5.472 1.00 63.41 H new ATOM 1407 N GLY B 9 2.048 -5.936 -8.404 1.00 23.14 N ATOM 1408 CA GLY B 9 2.927 -5.623 -9.540 1.00 32.23 C ATOM 1409 C GLY B 9 2.207 -5.540 -10.898 1.00 21.24 C ATOM 1410 O GLY B 9 2.579 -4.723 -11.755 1.00 64.31 O ATOM 0 H GLY B 9 2.181 -6.875 -8.028 1.00 23.14 H new ATOM 0 HA2 GLY B 9 3.424 -4.672 -9.348 1.00 32.23 H new ATOM 0 HA3 GLY B 9 3.706 -6.383 -9.601 1.00 32.23 H new ATOM 1414 N ALA B 10 1.184 -6.392 -11.097 1.00 65.12 N ATOM 1415 CA ALA B 10 0.359 -6.386 -12.335 1.00 65.53 C ATOM 1416 C ALA B 10 -0.485 -5.088 -12.444 1.00 50.30 C ATOM 1417 O ALA B 10 -0.521 -4.430 -13.496 1.00 22.03 O ATOM 1418 CB ALA B 10 -0.549 -7.625 -12.372 1.00 13.32 C ATOM 0 H ALA B 10 0.903 -7.099 -10.417 1.00 65.12 H new ATOM 0 HA ALA B 10 1.032 -6.416 -13.192 1.00 65.53 H new ATOM 0 HB1 ALA B 10 -1.148 -7.610 -13.282 1.00 13.32 H new ATOM 0 HB2 ALA B 10 0.064 -8.526 -12.356 1.00 13.32 H new ATOM 0 HB3 ALA B 10 -1.208 -7.619 -11.504 1.00 13.32 H new ATOM 1424 N LEU B 11 -1.148 -4.728 -11.326 1.00 24.11 N ATOM 1425 CA LEU B 11 -1.947 -3.484 -11.210 1.00 53.33 C ATOM 1426 C LEU B 11 -1.043 -2.236 -11.221 1.00 53.05 C ATOM 1427 O LEU B 11 -1.451 -1.181 -11.691 1.00 61.24 O ATOM 1428 CB LEU B 11 -2.803 -3.524 -9.921 1.00 73.20 C ATOM 1429 CG LEU B 11 -3.805 -4.717 -9.822 1.00 13.11 C ATOM 1430 CD1 LEU B 11 -4.544 -4.708 -8.478 1.00 24.14 C ATOM 1431 CD2 LEU B 11 -4.794 -4.730 -11.009 1.00 74.20 C ATOM 0 H LEU B 11 -1.146 -5.290 -10.475 1.00 24.11 H new ATOM 0 HA LEU B 11 -2.609 -3.421 -12.074 1.00 53.33 H new ATOM 0 HB2 LEU B 11 -2.134 -3.561 -9.061 1.00 73.20 H new ATOM 0 HB3 LEU B 11 -3.364 -2.593 -9.848 1.00 73.20 H new ATOM 0 HG LEU B 11 -3.225 -5.638 -9.876 1.00 13.11 H new ATOM 0 HD11 LEU B 11 -5.235 -5.550 -8.437 1.00 24.14 H new ATOM 0 HD12 LEU B 11 -3.822 -4.791 -7.665 1.00 24.14 H new ATOM 0 HD13 LEU B 11 -5.101 -3.776 -8.375 1.00 24.14 H new ATOM 0 HD21 LEU B 11 -5.476 -5.574 -10.905 1.00 74.20 H new ATOM 0 HD22 LEU B 11 -5.365 -3.802 -11.017 1.00 74.20 H new ATOM 0 HD23 LEU B 11 -4.240 -4.823 -11.943 1.00 74.20 H new ATOM 1443 N ALA B 12 0.192 -2.390 -10.706 1.00 35.15 N ATOM 1444 CA ALA B 12 1.234 -1.335 -10.740 1.00 32.43 C ATOM 1445 C ALA B 12 1.571 -0.911 -12.182 1.00 60.43 C ATOM 1446 O ALA B 12 1.817 0.268 -12.450 1.00 53.35 O ATOM 1447 CB ALA B 12 2.503 -1.826 -10.037 1.00 0.41 C ATOM 0 H ALA B 12 0.500 -3.250 -10.253 1.00 35.15 H new ATOM 0 HA ALA B 12 0.837 -0.465 -10.217 1.00 32.43 H new ATOM 0 HB1 ALA B 12 3.262 -1.044 -10.068 1.00 0.41 H new ATOM 0 HB2 ALA B 12 2.273 -2.069 -8.999 1.00 0.41 H new ATOM 0 HB3 ALA B 12 2.878 -2.716 -10.543 1.00 0.41 H new ATOM 1453 N GLY B 13 1.611 -1.907 -13.091 1.00 14.31 N ATOM 1454 CA GLY B 13 1.785 -1.659 -14.526 1.00 35.02 C ATOM 1455 C GLY B 13 0.705 -0.735 -15.106 1.00 5.04 C ATOM 1456 O GLY B 13 1.013 0.213 -15.823 1.00 52.12 O ATOM 0 H GLY B 13 1.524 -2.894 -12.848 1.00 14.31 H new ATOM 0 HA2 GLY B 13 2.766 -1.216 -14.697 1.00 35.02 H new ATOM 0 HA3 GLY B 13 1.768 -2.610 -15.059 1.00 35.02 H new ATOM 1460 N GLN B 14 -0.561 -1.004 -14.739 1.00 71.43 N ATOM 1461 CA GLN B 14 -1.734 -0.208 -15.180 1.00 33.10 C ATOM 1462 C GLN B 14 -1.700 1.233 -14.599 1.00 4.10 C ATOM 1463 O GLN B 14 -1.848 2.215 -15.334 1.00 11.20 O ATOM 1464 CB GLN B 14 -3.043 -0.922 -14.745 1.00 42.22 C ATOM 1465 CG GLN B 14 -3.192 -2.366 -15.264 1.00 40.25 C ATOM 1466 CD GLN B 14 -4.475 -3.060 -14.780 1.00 42.13 C ATOM 1467 OE1 GLN B 14 -4.987 -2.773 -13.702 1.00 73.45 O ATOM 1468 NE2 GLN B 14 -5.004 -3.971 -15.575 1.00 15.00 N ATOM 0 H GLN B 14 -0.806 -1.781 -14.126 1.00 71.43 H new ATOM 0 HA GLN B 14 -1.699 -0.130 -16.267 1.00 33.10 H new ATOM 0 HB2 GLN B 14 -3.089 -0.935 -13.656 1.00 42.22 H new ATOM 0 HB3 GLN B 14 -3.893 -0.336 -15.093 1.00 42.22 H new ATOM 0 HG2 GLN B 14 -3.183 -2.355 -16.354 1.00 40.25 H new ATOM 0 HG3 GLN B 14 -2.329 -2.950 -14.944 1.00 40.25 H new ATOM 0 HE21 GLN B 14 -4.559 -4.191 -16.466 1.00 15.00 H new ATOM 0 HE22 GLN B 14 -5.858 -4.455 -15.299 1.00 15.00 H new ATOM 1477 N ILE B 15 -1.503 1.326 -13.266 1.00 25.02 N ATOM 1478 CA ILE B 15 -1.494 2.608 -12.509 1.00 51.25 C ATOM 1479 C ILE B 15 -0.377 3.560 -13.004 1.00 32.44 C ATOM 1480 O ILE B 15 -0.611 4.761 -13.198 1.00 75.20 O ATOM 1481 CB ILE B 15 -1.351 2.337 -10.953 1.00 43.50 C ATOM 1482 CG1 ILE B 15 -2.588 1.528 -10.427 1.00 45.21 C ATOM 1483 CG2 ILE B 15 -1.157 3.650 -10.138 1.00 12.10 C ATOM 1484 CD1 ILE B 15 -2.526 1.129 -8.958 1.00 30.44 C ATOM 0 H ILE B 15 -1.344 0.510 -12.675 1.00 25.02 H new ATOM 0 HA ILE B 15 -2.448 3.103 -12.690 1.00 51.25 H new ATOM 0 HB ILE B 15 -0.450 1.742 -10.806 1.00 43.50 H new ATOM 0 HG12 ILE B 15 -3.486 2.124 -10.587 1.00 45.21 H new ATOM 0 HG13 ILE B 15 -2.693 0.625 -11.028 1.00 45.21 H new ATOM 0 HG21 ILE B 15 -1.064 3.410 -9.079 1.00 12.10 H new ATOM 0 HG22 ILE B 15 -0.254 4.158 -10.476 1.00 12.10 H new ATOM 0 HG23 ILE B 15 -2.017 4.302 -10.288 1.00 12.10 H new ATOM 0 HD11 ILE B 15 -3.426 0.575 -8.693 1.00 30.44 H new ATOM 0 HD12 ILE B 15 -1.651 0.502 -8.788 1.00 30.44 H new ATOM 0 HD13 ILE B 15 -2.456 2.024 -8.340 1.00 30.44 H new ATOM 1496 N TRP B 16 0.828 3.002 -13.212 1.00 63.04 N ATOM 1497 CA TRP B 16 1.978 3.761 -13.739 1.00 75.44 C ATOM 1498 C TRP B 16 1.705 4.271 -15.176 1.00 22.32 C ATOM 1499 O TRP B 16 2.026 5.412 -15.490 1.00 50.54 O ATOM 1500 CB TRP B 16 3.275 2.909 -13.700 1.00 2.41 C ATOM 1501 CG TRP B 16 4.519 3.706 -14.025 1.00 40.41 C ATOM 1502 CD1 TRP B 16 5.277 4.432 -13.152 1.00 65.23 C ATOM 1503 CD2 TRP B 16 5.117 3.889 -15.318 1.00 72.43 C ATOM 1504 NE1 TRP B 16 6.313 5.037 -13.820 1.00 64.11 N ATOM 1505 CE2 TRP B 16 6.234 4.720 -15.150 1.00 14.11 C ATOM 1506 CE3 TRP B 16 4.815 3.414 -16.595 1.00 4.22 C ATOM 1507 CZ2 TRP B 16 7.045 5.105 -16.215 1.00 23.24 C ATOM 1508 CZ3 TRP B 16 5.614 3.795 -17.650 1.00 33.24 C ATOM 1509 CH2 TRP B 16 6.721 4.628 -17.458 1.00 30.42 C ATOM 0 H TRP B 16 1.033 2.021 -13.022 1.00 63.04 H new ATOM 0 HA TRP B 16 2.120 4.629 -13.095 1.00 75.44 H new ATOM 0 HB2 TRP B 16 3.382 2.467 -12.709 1.00 2.41 H new ATOM 0 HB3 TRP B 16 3.183 2.086 -14.408 1.00 2.41 H new ATOM 0 HD1 TRP B 16 5.089 4.518 -12.092 1.00 65.23 H new ATOM 0 HE1 TRP B 16 7.027 5.628 -13.394 1.00 64.11 H new ATOM 0 HE3 TRP B 16 3.970 2.760 -16.753 1.00 4.22 H new ATOM 0 HZ2 TRP B 16 7.896 5.754 -16.067 1.00 23.24 H new ATOM 0 HZ3 TRP B 16 5.381 3.444 -18.644 1.00 33.24 H new ATOM 0 HH2 TRP B 16 7.332 4.900 -18.306 1.00 30.42 H new ATOM 1520 N GLU B 17 1.123 3.410 -16.044 1.00 65.30 N ATOM 1521 CA GLU B 17 0.767 3.800 -17.441 1.00 5.25 C ATOM 1522 C GLU B 17 -0.315 4.908 -17.490 1.00 4.41 C ATOM 1523 O GLU B 17 -0.359 5.684 -18.449 1.00 31.44 O ATOM 1524 CB GLU B 17 0.308 2.579 -18.289 1.00 21.34 C ATOM 1525 CG GLU B 17 1.417 1.555 -18.634 1.00 22.31 C ATOM 1526 CD GLU B 17 2.587 2.105 -19.482 1.00 52.30 C ATOM 1527 OE1 GLU B 17 2.377 2.989 -20.349 1.00 50.22 O ATOM 1528 OE2 GLU B 17 3.729 1.623 -19.307 1.00 45.23 O ATOM 0 H GLU B 17 0.889 2.445 -15.809 1.00 65.30 H new ATOM 0 HA GLU B 17 1.682 4.201 -17.876 1.00 5.25 H new ATOM 0 HB2 GLU B 17 -0.486 2.062 -17.750 1.00 21.34 H new ATOM 0 HB3 GLU B 17 -0.126 2.947 -19.219 1.00 21.34 H new ATOM 0 HG2 GLU B 17 1.821 1.156 -17.704 1.00 22.31 H new ATOM 0 HG3 GLU B 17 0.964 0.720 -19.169 1.00 22.31 H new ATOM 1535 N ALA B 18 -1.186 4.964 -16.462 1.00 23.13 N ATOM 1536 CA ALA B 18 -2.170 6.065 -16.296 1.00 51.25 C ATOM 1537 C ALA B 18 -1.451 7.416 -16.007 1.00 1.44 C ATOM 1538 O ALA B 18 -1.846 8.474 -16.515 1.00 51.40 O ATOM 1539 CB ALA B 18 -3.161 5.718 -15.170 1.00 51.22 C ATOM 0 H ALA B 18 -1.231 4.257 -15.728 1.00 23.13 H new ATOM 0 HA ALA B 18 -2.725 6.179 -17.227 1.00 51.25 H new ATOM 0 HB1 ALA B 18 -3.879 6.530 -15.054 1.00 51.22 H new ATOM 0 HB2 ALA B 18 -3.690 4.799 -15.421 1.00 51.22 H new ATOM 0 HB3 ALA B 18 -2.616 5.579 -14.236 1.00 51.22 H new ATOM 1545 N LEU B 19 -0.381 7.341 -15.196 1.00 10.51 N ATOM 1546 CA LEU B 19 0.475 8.497 -14.836 1.00 24.12 C ATOM 1547 C LEU B 19 1.490 8.842 -15.962 1.00 4.14 C ATOM 1548 O LEU B 19 1.968 9.979 -16.049 1.00 34.51 O ATOM 1549 CB LEU B 19 1.241 8.164 -13.529 1.00 33.45 C ATOM 1550 CG LEU B 19 0.367 7.899 -12.262 1.00 75.14 C ATOM 1551 CD1 LEU B 19 1.218 7.350 -11.096 1.00 11.15 C ATOM 1552 CD2 LEU B 19 -0.391 9.177 -11.845 1.00 3.43 C ATOM 0 H LEU B 19 -0.079 6.468 -14.764 1.00 10.51 H new ATOM 0 HA LEU B 19 -0.166 9.367 -14.696 1.00 24.12 H new ATOM 0 HB2 LEU B 19 1.858 7.284 -13.709 1.00 33.45 H new ATOM 0 HB3 LEU B 19 1.919 8.989 -13.310 1.00 33.45 H new ATOM 0 HG LEU B 19 -0.369 7.136 -12.516 1.00 75.14 H new ATOM 0 HD11 LEU B 19 0.580 7.176 -10.230 1.00 11.15 H new ATOM 0 HD12 LEU B 19 1.685 6.412 -11.396 1.00 11.15 H new ATOM 0 HD13 LEU B 19 1.991 8.074 -10.838 1.00 11.15 H new ATOM 0 HD21 LEU B 19 -0.994 8.970 -10.961 1.00 3.43 H new ATOM 0 HD22 LEU B 19 0.325 9.967 -11.620 1.00 3.43 H new ATOM 0 HD23 LEU B 19 -1.040 9.497 -12.660 1.00 3.43 H new ATOM 1564 N ASN B 20 1.822 7.838 -16.798 1.00 1.04 N ATOM 1565 CA ASN B 20 2.828 7.958 -17.878 1.00 75.10 C ATOM 1566 C ASN B 20 2.336 8.904 -18.999 1.00 63.24 C ATOM 1567 O ASN B 20 1.242 8.725 -19.542 1.00 73.33 O ATOM 1568 CB ASN B 20 3.160 6.552 -18.443 1.00 31.52 C ATOM 1569 CG ASN B 20 4.244 6.552 -19.526 1.00 24.24 C ATOM 1570 OD1 ASN B 20 5.142 7.391 -19.532 1.00 20.21 O ATOM 1571 ND2 ASN B 20 4.185 5.595 -20.432 1.00 72.41 N ATOM 0 H ASN B 20 1.397 6.912 -16.744 1.00 1.04 H new ATOM 0 HA ASN B 20 3.736 8.394 -17.461 1.00 75.10 H new ATOM 0 HB2 ASN B 20 3.481 5.909 -17.623 1.00 31.52 H new ATOM 0 HB3 ASN B 20 2.251 6.114 -18.854 1.00 31.52 H new ATOM 0 HD21 ASN B 20 4.896 5.538 -21.161 1.00 72.41 H new ATOM 0 HD22 ASN B 20 3.428 4.912 -20.403 1.00 72.41 H new ATOM 1578 N GLY B 21 3.170 9.906 -19.331 1.00 54.52 N ATOM 1579 CA GLY B 21 2.803 10.960 -20.287 1.00 64.44 C ATOM 1580 C GLY B 21 1.824 12.001 -19.714 1.00 40.32 C ATOM 1581 O GLY B 21 1.281 12.826 -20.456 1.00 62.13 O ATOM 0 H GLY B 21 4.109 10.006 -18.946 1.00 54.52 H new ATOM 0 HA2 GLY B 21 3.708 11.469 -20.618 1.00 64.44 H new ATOM 0 HA3 GLY B 21 2.356 10.500 -21.168 1.00 64.44 H new ATOM 1585 N THR B 22 1.607 11.961 -18.382 1.00 41.33 N ATOM 1586 CA THR B 22 0.625 12.827 -17.677 1.00 1.24 C ATOM 1587 C THR B 22 1.297 13.594 -16.504 1.00 64.21 C ATOM 1588 O THR B 22 2.357 13.195 -16.005 1.00 53.34 O ATOM 1589 CB THR B 22 -0.580 11.963 -17.124 1.00 42.13 C ATOM 1590 OG1 THR B 22 -1.023 11.027 -18.126 1.00 21.11 O ATOM 1591 CG2 THR B 22 -1.785 12.829 -16.700 1.00 13.24 C ATOM 0 H THR B 22 2.107 11.327 -17.759 1.00 41.33 H new ATOM 0 HA THR B 22 0.246 13.553 -18.397 1.00 1.24 H new ATOM 0 HB THR B 22 -0.206 11.440 -16.244 1.00 42.13 H new ATOM 0 HG1 THR B 22 -1.299 10.192 -17.694 1.00 21.11 H new ATOM 0 HG21 THR B 22 -2.583 12.186 -16.329 1.00 13.24 H new ATOM 0 HG22 THR B 22 -1.479 13.518 -15.913 1.00 13.24 H new ATOM 0 HG23 THR B 22 -2.146 13.396 -17.558 1.00 13.24 H new ATOM 1599 N GLU B 23 0.653 14.697 -16.081 1.00 31.40 N ATOM 1600 CA GLU B 23 1.061 15.522 -14.911 1.00 21.32 C ATOM 1601 C GLU B 23 0.925 14.766 -13.552 1.00 44.04 C ATOM 1602 O GLU B 23 1.629 15.080 -12.586 1.00 2.30 O ATOM 1603 CB GLU B 23 0.175 16.801 -14.888 1.00 50.25 C ATOM 1604 CG GLU B 23 -1.342 16.518 -14.760 1.00 53.44 C ATOM 1605 CD GLU B 23 -2.209 17.784 -14.806 1.00 13.15 C ATOM 1606 OE1 GLU B 23 -2.290 18.490 -13.784 1.00 10.00 O ATOM 1607 OE2 GLU B 23 -2.790 18.090 -15.871 1.00 25.23 O ATOM 0 H GLU B 23 -0.182 15.053 -16.546 1.00 31.40 H new ATOM 0 HA GLU B 23 2.117 15.768 -15.024 1.00 21.32 H new ATOM 0 HB2 GLU B 23 0.487 17.431 -14.055 1.00 50.25 H new ATOM 0 HB3 GLU B 23 0.352 17.369 -15.801 1.00 50.25 H new ATOM 0 HG2 GLU B 23 -1.648 15.849 -15.565 1.00 53.44 H new ATOM 0 HG3 GLU B 23 -1.528 15.994 -13.822 1.00 53.44 H new ATOM 1614 N GLY B 24 0.026 13.763 -13.504 1.00 42.44 N ATOM 1615 CA GLY B 24 -0.349 13.084 -12.251 1.00 42.41 C ATOM 1616 C GLY B 24 -1.858 13.122 -12.002 1.00 74.32 C ATOM 1617 O GLY B 24 -2.527 14.103 -12.347 1.00 4.04 O ATOM 0 H GLY B 24 -0.457 13.404 -14.328 1.00 42.44 H new ATOM 0 HA2 GLY B 24 -0.015 12.047 -12.288 1.00 42.41 H new ATOM 0 HA3 GLY B 24 0.167 13.556 -11.415 1.00 42.41 H new ATOM 1621 N LEU B 25 -2.401 12.052 -11.394 1.00 33.13 N ATOM 1622 CA LEU B 25 -3.858 11.917 -11.138 1.00 64.34 C ATOM 1623 C LEU B 25 -4.121 11.620 -9.641 1.00 61.33 C ATOM 1624 O LEU B 25 -3.223 11.179 -8.910 1.00 33.12 O ATOM 1625 CB LEU B 25 -4.503 10.782 -12.002 1.00 74.31 C ATOM 1626 CG LEU B 25 -4.431 10.899 -13.569 1.00 13.43 C ATOM 1627 CD1 LEU B 25 -3.040 10.526 -14.120 1.00 30.11 C ATOM 1628 CD2 LEU B 25 -5.529 10.042 -14.251 1.00 11.34 C ATOM 0 H LEU B 25 -1.852 11.258 -11.066 1.00 33.13 H new ATOM 0 HA LEU B 25 -4.316 12.866 -11.416 1.00 64.34 H new ATOM 0 HB2 LEU B 25 -4.032 9.841 -11.718 1.00 74.31 H new ATOM 0 HB3 LEU B 25 -5.554 10.710 -11.723 1.00 74.31 H new ATOM 0 HG LEU B 25 -4.610 11.947 -13.809 1.00 13.43 H new ATOM 0 HD11 LEU B 25 -3.041 10.622 -15.206 1.00 30.11 H new ATOM 0 HD12 LEU B 25 -2.290 11.194 -13.697 1.00 30.11 H new ATOM 0 HD13 LEU B 25 -2.805 9.497 -13.847 1.00 30.11 H new ATOM 0 HD21 LEU B 25 -5.451 10.145 -15.333 1.00 11.34 H new ATOM 0 HD22 LEU B 25 -5.397 8.996 -13.976 1.00 11.34 H new ATOM 0 HD23 LEU B 25 -6.512 10.382 -13.924 1.00 11.34 H new ATOM 1640 N THR B 26 -5.371 11.862 -9.197 1.00 72.42 N ATOM 1641 CA THR B 26 -5.832 11.470 -7.839 1.00 62.40 C ATOM 1642 C THR B 26 -6.222 9.976 -7.811 1.00 43.24 C ATOM 1643 O THR B 26 -6.305 9.325 -8.868 1.00 73.30 O ATOM 1644 CB THR B 26 -7.059 12.315 -7.362 1.00 35.50 C ATOM 1645 OG1 THR B 26 -8.176 12.100 -8.243 1.00 4.24 O ATOM 1646 CG2 THR B 26 -6.737 13.816 -7.300 1.00 53.34 C ATOM 0 H THR B 26 -6.085 12.328 -9.757 1.00 72.42 H new ATOM 0 HA THR B 26 -4.999 11.658 -7.162 1.00 62.40 H new ATOM 0 HB THR B 26 -7.309 11.985 -6.354 1.00 35.50 H new ATOM 0 HG1 THR B 26 -8.941 12.631 -7.937 1.00 4.24 H new ATOM 0 HG21 THR B 26 -7.618 14.363 -6.964 1.00 53.34 H new ATOM 0 HG22 THR B 26 -5.917 13.984 -6.602 1.00 53.34 H new ATOM 0 HG23 THR B 26 -6.447 14.167 -8.290 1.00 53.34 H new ATOM 1654 N GLN B 27 -6.490 9.449 -6.598 1.00 42.34 N ATOM 1655 CA GLN B 27 -6.797 8.017 -6.395 1.00 70.43 C ATOM 1656 C GLN B 27 -8.019 7.551 -7.233 1.00 73.44 C ATOM 1657 O GLN B 27 -7.931 6.548 -7.938 1.00 40.23 O ATOM 1658 CB GLN B 27 -6.961 7.705 -4.867 1.00 3.02 C ATOM 1659 CG GLN B 27 -8.203 8.316 -4.160 1.00 64.23 C ATOM 1660 CD GLN B 27 -9.310 7.293 -3.866 1.00 63.03 C ATOM 1661 OE1 GLN B 27 -10.203 7.057 -4.673 1.00 24.50 O ATOM 1662 NE2 GLN B 27 -9.243 6.671 -2.709 1.00 34.25 N ATOM 0 H GLN B 27 -6.500 9.998 -5.739 1.00 42.34 H new ATOM 0 HA GLN B 27 -5.951 7.436 -6.763 1.00 70.43 H new ATOM 0 HB2 GLN B 27 -6.997 6.623 -4.742 1.00 3.02 H new ATOM 0 HB3 GLN B 27 -6.068 8.056 -4.350 1.00 3.02 H new ATOM 0 HG2 GLN B 27 -7.887 8.776 -3.224 1.00 64.23 H new ATOM 0 HG3 GLN B 27 -8.611 9.111 -4.784 1.00 64.23 H new ATOM 0 HE21 GLN B 27 -8.489 6.887 -2.057 1.00 34.25 H new ATOM 0 HE22 GLN B 27 -9.945 5.973 -2.464 1.00 34.25 H new ATOM 1671 N LYS B 28 -9.118 8.329 -7.199 1.00 1.42 N ATOM 1672 CA LYS B 28 -10.371 8.003 -7.930 1.00 15.00 C ATOM 1673 C LYS B 28 -10.167 8.046 -9.467 1.00 21.35 C ATOM 1674 O LYS B 28 -10.679 7.179 -10.184 1.00 5.40 O ATOM 1675 CB LYS B 28 -11.510 8.964 -7.468 1.00 34.51 C ATOM 1676 CG LYS B 28 -12.943 8.650 -8.014 1.00 14.25 C ATOM 1677 CD LYS B 28 -13.285 9.340 -9.365 1.00 74.15 C ATOM 1678 CE LYS B 28 -13.277 10.875 -9.266 1.00 11.13 C ATOM 1679 NZ LYS B 28 -13.629 11.523 -10.547 1.00 12.10 N ATOM 0 H LYS B 28 -9.169 9.199 -6.668 1.00 1.42 H new ATOM 0 HA LYS B 28 -10.661 6.980 -7.689 1.00 15.00 H new ATOM 0 HB2 LYS B 28 -11.548 8.951 -6.379 1.00 34.51 H new ATOM 0 HB3 LYS B 28 -11.244 9.978 -7.766 1.00 34.51 H new ATOM 0 HG2 LYS B 28 -13.043 7.571 -8.136 1.00 14.25 H new ATOM 0 HG3 LYS B 28 -13.677 8.956 -7.268 1.00 14.25 H new ATOM 0 HD2 LYS B 28 -12.566 9.025 -10.121 1.00 74.15 H new ATOM 0 HD3 LYS B 28 -14.267 9.007 -9.700 1.00 74.15 H new ATOM 0 HE2 LYS B 28 -13.981 11.191 -8.496 1.00 11.13 H new ATOM 0 HE3 LYS B 28 -12.289 11.211 -8.951 1.00 11.13 H new ATOM 0 HZ1 LYS B 28 -13.610 12.556 -10.430 1.00 12.10 H new ATOM 0 HZ2 LYS B 28 -12.943 11.245 -11.277 1.00 12.10 H new ATOM 0 HZ3 LYS B 28 -14.582 11.225 -10.836 1.00 12.10 H new ATOM 1693 N GLN B 29 -9.415 9.059 -9.952 1.00 32.30 N ATOM 1694 CA GLN B 29 -9.111 9.230 -11.400 1.00 21.33 C ATOM 1695 C GLN B 29 -8.385 7.992 -11.989 1.00 33.42 C ATOM 1696 O GLN B 29 -8.721 7.523 -13.085 1.00 13.15 O ATOM 1697 CB GLN B 29 -8.270 10.517 -11.641 1.00 0.20 C ATOM 1698 CG GLN B 29 -9.031 11.839 -11.432 1.00 64.42 C ATOM 1699 CD GLN B 29 -8.184 13.074 -11.763 1.00 31.11 C ATOM 1700 OE1 GLN B 29 -8.134 13.522 -12.903 1.00 22.33 O ATOM 1701 NE2 GLN B 29 -7.523 13.639 -10.773 1.00 70.33 N ATOM 0 H GLN B 29 -9.002 9.779 -9.360 1.00 32.30 H new ATOM 0 HA GLN B 29 -10.064 9.332 -11.919 1.00 21.33 H new ATOM 0 HB2 GLN B 29 -7.409 10.501 -10.973 1.00 0.20 H new ATOM 0 HB3 GLN B 29 -7.883 10.495 -12.660 1.00 0.20 H new ATOM 0 HG2 GLN B 29 -9.925 11.840 -12.055 1.00 64.42 H new ATOM 0 HG3 GLN B 29 -9.365 11.900 -10.396 1.00 64.42 H new ATOM 0 HE21 GLN B 29 -7.580 13.248 -9.833 1.00 70.33 H new ATOM 0 HE22 GLN B 29 -6.954 14.468 -10.947 1.00 70.33 H new ATOM 1710 N ILE B 30 -7.407 7.465 -11.236 1.00 51.31 N ATOM 1711 CA ILE B 30 -6.642 6.261 -11.627 1.00 51.14 C ATOM 1712 C ILE B 30 -7.507 4.987 -11.516 1.00 32.12 C ATOM 1713 O ILE B 30 -7.519 4.176 -12.430 1.00 73.12 O ATOM 1714 CB ILE B 30 -5.346 6.114 -10.754 1.00 65.33 C ATOM 1715 CG1 ILE B 30 -4.436 7.365 -10.949 1.00 61.23 C ATOM 1716 CG2 ILE B 30 -4.577 4.806 -11.071 1.00 72.24 C ATOM 1717 CD1 ILE B 30 -3.178 7.393 -10.111 1.00 12.51 C ATOM 0 H ILE B 30 -7.121 7.858 -10.339 1.00 51.31 H new ATOM 0 HA ILE B 30 -6.348 6.383 -12.669 1.00 51.14 H new ATOM 0 HB ILE B 30 -5.646 6.052 -9.708 1.00 65.33 H new ATOM 0 HG12 ILE B 30 -4.153 7.426 -12.000 1.00 61.23 H new ATOM 0 HG13 ILE B 30 -5.021 8.257 -10.724 1.00 61.23 H new ATOM 0 HG21 ILE B 30 -3.687 4.746 -10.444 1.00 72.24 H new ATOM 0 HG22 ILE B 30 -5.220 3.949 -10.872 1.00 72.24 H new ATOM 0 HG23 ILE B 30 -4.282 4.803 -12.120 1.00 72.24 H new ATOM 0 HD11 ILE B 30 -2.619 8.304 -10.324 1.00 12.51 H new ATOM 0 HD12 ILE B 30 -3.444 7.369 -9.054 1.00 12.51 H new ATOM 0 HD13 ILE B 30 -2.562 6.526 -10.350 1.00 12.51 H new ATOM 1729 N LYS B 31 -8.232 4.831 -10.393 1.00 74.34 N ATOM 1730 CA LYS B 31 -9.134 3.667 -10.157 1.00 65.53 C ATOM 1731 C LYS B 31 -10.203 3.524 -11.274 1.00 51.04 C ATOM 1732 O LYS B 31 -10.603 2.414 -11.616 1.00 44.14 O ATOM 1733 CB LYS B 31 -9.810 3.793 -8.763 1.00 63.35 C ATOM 1734 CG LYS B 31 -8.863 3.559 -7.558 1.00 15.20 C ATOM 1735 CD LYS B 31 -9.469 4.044 -6.217 1.00 23.51 C ATOM 1736 CE LYS B 31 -10.818 3.377 -5.872 1.00 73.23 C ATOM 1737 NZ LYS B 31 -11.478 4.042 -4.723 1.00 30.23 N ATOM 0 H LYS B 31 -8.216 5.499 -9.622 1.00 74.34 H new ATOM 0 HA LYS B 31 -8.525 2.763 -10.180 1.00 65.53 H new ATOM 0 HB2 LYS B 31 -10.248 4.787 -8.676 1.00 63.35 H new ATOM 0 HB3 LYS B 31 -10.630 3.078 -8.707 1.00 63.35 H new ATOM 0 HG2 LYS B 31 -8.632 2.496 -7.484 1.00 15.20 H new ATOM 0 HG3 LYS B 31 -7.921 4.078 -7.735 1.00 15.20 H new ATOM 0 HD2 LYS B 31 -8.759 3.845 -5.414 1.00 23.51 H new ATOM 0 HD3 LYS B 31 -9.608 5.124 -6.260 1.00 23.51 H new ATOM 0 HE2 LYS B 31 -11.475 3.414 -6.741 1.00 73.23 H new ATOM 0 HE3 LYS B 31 -10.655 2.325 -5.640 1.00 73.23 H new ATOM 0 HZ1 LYS B 31 -12.319 3.498 -4.444 1.00 30.23 H new ATOM 0 HZ2 LYS B 31 -10.816 4.090 -3.923 1.00 30.23 H new ATOM 0 HZ3 LYS B 31 -11.763 5.004 -4.996 1.00 30.23 H new ATOM 1751 N LYS B 32 -10.650 4.662 -11.831 1.00 53.41 N ATOM 1752 CA LYS B 32 -11.564 4.692 -12.993 1.00 62.35 C ATOM 1753 C LYS B 32 -10.852 4.222 -14.293 1.00 54.11 C ATOM 1754 O LYS B 32 -11.334 3.314 -14.985 1.00 14.21 O ATOM 1755 CB LYS B 32 -12.147 6.120 -13.178 1.00 0.11 C ATOM 1756 CG LYS B 32 -13.097 6.279 -14.390 1.00 44.23 C ATOM 1757 CD LYS B 32 -14.357 5.380 -14.304 1.00 45.25 C ATOM 1758 CE LYS B 32 -15.206 5.429 -15.588 1.00 42.13 C ATOM 1759 NZ LYS B 32 -15.617 6.816 -15.942 1.00 72.34 N ATOM 0 H LYS B 32 -10.390 5.588 -11.491 1.00 53.41 H new ATOM 0 HA LYS B 32 -12.380 3.997 -12.796 1.00 62.35 H new ATOM 0 HB2 LYS B 32 -12.686 6.398 -12.272 1.00 0.11 H new ATOM 0 HB3 LYS B 32 -11.321 6.824 -13.286 1.00 0.11 H new ATOM 0 HG2 LYS B 32 -13.407 7.321 -14.465 1.00 44.23 H new ATOM 0 HG3 LYS B 32 -12.552 6.042 -15.304 1.00 44.23 H new ATOM 0 HD2 LYS B 32 -14.053 4.351 -14.113 1.00 45.25 H new ATOM 0 HD3 LYS B 32 -14.967 5.695 -13.457 1.00 45.25 H new ATOM 0 HE2 LYS B 32 -14.638 4.999 -16.413 1.00 42.13 H new ATOM 0 HE3 LYS B 32 -16.095 4.811 -15.457 1.00 42.13 H new ATOM 0 HZ1 LYS B 32 -16.269 6.789 -16.752 1.00 72.34 H new ATOM 0 HZ2 LYS B 32 -16.094 7.255 -15.129 1.00 72.34 H new ATOM 0 HZ3 LYS B 32 -14.776 7.374 -16.193 1.00 72.34 H new ATOM 1773 N ALA B 33 -9.702 4.851 -14.602 1.00 33.32 N ATOM 1774 CA ALA B 33 -8.936 4.602 -15.854 1.00 12.43 C ATOM 1775 C ALA B 33 -8.446 3.133 -15.962 1.00 73.53 C ATOM 1776 O ALA B 33 -8.645 2.461 -16.976 1.00 44.23 O ATOM 1777 CB ALA B 33 -7.745 5.572 -15.926 1.00 3.42 C ATOM 0 H ALA B 33 -9.271 5.548 -13.995 1.00 33.32 H new ATOM 0 HA ALA B 33 -9.605 4.774 -16.697 1.00 12.43 H new ATOM 0 HB1 ALA B 33 -7.183 5.391 -16.842 1.00 3.42 H new ATOM 0 HB2 ALA B 33 -8.111 6.599 -15.922 1.00 3.42 H new ATOM 0 HB3 ALA B 33 -7.095 5.415 -15.065 1.00 3.42 H new ATOM 1783 N THR B 34 -7.837 2.653 -14.874 1.00 55.11 N ATOM 1784 CA THR B 34 -7.276 1.281 -14.764 1.00 23.03 C ATOM 1785 C THR B 34 -8.354 0.238 -14.380 1.00 55.20 C ATOM 1786 O THR B 34 -8.104 -0.972 -14.446 1.00 74.20 O ATOM 1787 CB THR B 34 -6.135 1.246 -13.701 1.00 2.51 C ATOM 1788 OG1 THR B 34 -6.682 1.507 -12.398 1.00 41.15 O ATOM 1789 CG2 THR B 34 -5.046 2.288 -14.004 1.00 51.42 C ATOM 0 H THR B 34 -7.712 3.206 -14.026 1.00 55.11 H new ATOM 0 HA THR B 34 -6.883 1.020 -15.747 1.00 23.03 H new ATOM 0 HB THR B 34 -5.681 0.255 -13.733 1.00 2.51 H new ATOM 0 HG1 THR B 34 -6.977 2.440 -12.348 1.00 41.15 H new ATOM 0 HG21 THR B 34 -4.268 2.234 -13.242 1.00 51.42 H new ATOM 0 HG22 THR B 34 -4.610 2.085 -14.982 1.00 51.42 H new ATOM 0 HG23 THR B 34 -5.486 3.285 -14.003 1.00 51.42 H new ATOM 1797 N LYS B 35 -9.530 0.741 -13.948 1.00 20.21 N ATOM 1798 CA LYS B 35 -10.735 -0.058 -13.627 1.00 0.43 C ATOM 1799 C LYS B 35 -10.544 -0.947 -12.362 1.00 4.31 C ATOM 1800 O LYS B 35 -11.048 -2.077 -12.291 1.00 22.43 O ATOM 1801 CB LYS B 35 -11.216 -0.870 -14.883 1.00 65.51 C ATOM 1802 CG LYS B 35 -12.752 -0.927 -15.054 1.00 2.31 C ATOM 1803 CD LYS B 35 -13.402 0.472 -15.312 1.00 53.12 C ATOM 1804 CE LYS B 35 -13.179 1.028 -16.743 1.00 61.05 C ATOM 1805 NZ LYS B 35 -11.753 1.308 -17.063 1.00 64.33 N ATOM 0 H LYS B 35 -9.673 1.741 -13.809 1.00 20.21 H new ATOM 0 HA LYS B 35 -11.534 0.637 -13.368 1.00 0.43 H new ATOM 0 HB2 LYS B 35 -10.779 -0.426 -15.777 1.00 65.51 H new ATOM 0 HB3 LYS B 35 -10.832 -1.888 -14.812 1.00 65.51 H new ATOM 0 HG2 LYS B 35 -12.993 -1.590 -15.885 1.00 2.31 H new ATOM 0 HG3 LYS B 35 -13.194 -1.365 -14.159 1.00 2.31 H new ATOM 0 HD2 LYS B 35 -14.474 0.401 -15.126 1.00 53.12 H new ATOM 0 HD3 LYS B 35 -13.000 1.184 -14.592 1.00 53.12 H new ATOM 0 HE2 LYS B 35 -13.570 0.312 -17.466 1.00 61.05 H new ATOM 0 HE3 LYS B 35 -13.755 1.946 -16.860 1.00 61.05 H new ATOM 0 HZ1 LYS B 35 -11.697 2.093 -17.743 1.00 64.33 H new ATOM 0 HZ2 LYS B 35 -11.247 1.568 -16.193 1.00 64.33 H new ATOM 0 HZ3 LYS B 35 -11.317 0.459 -17.477 1.00 64.33 H new ATOM 1819 N LEU B 36 -9.843 -0.390 -11.348 1.00 51.04 N ATOM 1820 CA LEU B 36 -9.645 -1.045 -10.025 1.00 24.23 C ATOM 1821 C LEU B 36 -10.987 -1.200 -9.260 1.00 24.13 C ATOM 1822 O LEU B 36 -11.896 -0.374 -9.412 1.00 52.43 O ATOM 1823 CB LEU B 36 -8.640 -0.227 -9.164 1.00 53.12 C ATOM 1824 CG LEU B 36 -7.190 -0.105 -9.730 1.00 4.43 C ATOM 1825 CD1 LEU B 36 -6.349 0.899 -8.920 1.00 51.23 C ATOM 1826 CD2 LEU B 36 -6.485 -1.480 -9.809 1.00 70.23 C ATOM 0 H LEU B 36 -9.397 0.525 -11.419 1.00 51.04 H new ATOM 0 HA LEU B 36 -9.241 -2.041 -10.207 1.00 24.23 H new ATOM 0 HB2 LEU B 36 -9.041 0.777 -9.030 1.00 53.12 H new ATOM 0 HB3 LEU B 36 -8.585 -0.683 -8.175 1.00 53.12 H new ATOM 0 HG LEU B 36 -7.279 0.277 -10.747 1.00 4.43 H new ATOM 0 HD11 LEU B 36 -5.346 0.958 -9.343 1.00 51.23 H new ATOM 0 HD12 LEU B 36 -6.818 1.882 -8.960 1.00 51.23 H new ATOM 0 HD13 LEU B 36 -6.287 0.569 -7.883 1.00 51.23 H new ATOM 0 HD21 LEU B 36 -5.479 -1.351 -10.208 1.00 70.23 H new ATOM 0 HD22 LEU B 36 -6.427 -1.917 -8.812 1.00 70.23 H new ATOM 0 HD23 LEU B 36 -7.052 -2.143 -10.463 1.00 70.23 H new ATOM 1838 N LYS B 37 -11.096 -2.263 -8.442 1.00 73.10 N ATOM 1839 CA LYS B 37 -12.327 -2.574 -7.673 1.00 40.23 C ATOM 1840 C LYS B 37 -12.266 -1.964 -6.259 1.00 34.53 C ATOM 1841 O LYS B 37 -13.189 -1.268 -5.820 1.00 41.12 O ATOM 1842 CB LYS B 37 -12.513 -4.112 -7.592 1.00 45.32 C ATOM 1843 CG LYS B 37 -12.579 -4.809 -8.969 1.00 60.01 C ATOM 1844 CD LYS B 37 -13.737 -4.279 -9.850 1.00 32.54 C ATOM 1845 CE LYS B 37 -13.807 -4.964 -11.221 1.00 4.41 C ATOM 1846 NZ LYS B 37 -14.907 -4.420 -12.056 1.00 21.33 N ATOM 0 H LYS B 37 -10.340 -2.931 -8.292 1.00 73.10 H new ATOM 0 HA LYS B 37 -13.181 -2.134 -8.188 1.00 40.23 H new ATOM 0 HB2 LYS B 37 -11.689 -4.538 -7.020 1.00 45.32 H new ATOM 0 HB3 LYS B 37 -13.429 -4.329 -7.042 1.00 45.32 H new ATOM 0 HG2 LYS B 37 -11.634 -4.663 -9.492 1.00 60.01 H new ATOM 0 HG3 LYS B 37 -12.700 -5.882 -8.823 1.00 60.01 H new ATOM 0 HD2 LYS B 37 -14.682 -4.427 -9.327 1.00 32.54 H new ATOM 0 HD3 LYS B 37 -13.616 -3.205 -9.992 1.00 32.54 H new ATOM 0 HE2 LYS B 37 -12.858 -4.833 -11.741 1.00 4.41 H new ATOM 0 HE3 LYS B 37 -13.951 -6.036 -11.084 1.00 4.41 H new ATOM 0 HZ1 LYS B 37 -14.921 -4.909 -12.974 1.00 21.33 H new ATOM 0 HZ2 LYS B 37 -15.816 -4.567 -11.572 1.00 21.33 H new ATOM 0 HZ3 LYS B 37 -14.757 -3.402 -12.208 1.00 21.33 H new ATOM 1860 N ALA B 38 -11.159 -2.233 -5.560 1.00 44.11 N ATOM 1861 CA ALA B 38 -10.923 -1.750 -4.188 1.00 60.02 C ATOM 1862 C ALA B 38 -9.895 -0.608 -4.170 1.00 4.21 C ATOM 1863 O ALA B 38 -9.077 -0.459 -5.093 1.00 22.41 O ATOM 1864 CB ALA B 38 -10.437 -2.909 -3.293 1.00 60.23 C ATOM 0 H ALA B 38 -10.393 -2.796 -5.930 1.00 44.11 H new ATOM 0 HA ALA B 38 -11.866 -1.366 -3.800 1.00 60.02 H new ATOM 0 HB1 ALA B 38 -10.266 -2.541 -2.282 1.00 60.23 H new ATOM 0 HB2 ALA B 38 -11.194 -3.693 -3.270 1.00 60.23 H new ATOM 0 HB3 ALA B 38 -9.508 -3.313 -3.694 1.00 60.23 H new ATOM 1870 N ASP B 39 -9.946 0.193 -3.096 1.00 42.41 N ATOM 1871 CA ASP B 39 -8.868 1.138 -2.751 1.00 11.22 C ATOM 1872 C ASP B 39 -7.568 0.367 -2.434 1.00 33.14 C ATOM 1873 O ASP B 39 -6.473 0.855 -2.693 1.00 32.01 O ATOM 1874 CB ASP B 39 -9.270 1.986 -1.528 1.00 34.13 C ATOM 1875 CG ASP B 39 -10.523 2.826 -1.764 1.00 61.41 C ATOM 1876 OD1 ASP B 39 -11.640 2.281 -1.685 1.00 32.14 O ATOM 1877 OD2 ASP B 39 -10.396 4.033 -2.031 1.00 54.54 O ATOM 0 H ASP B 39 -10.730 0.206 -2.444 1.00 42.41 H new ATOM 0 HA ASP B 39 -8.701 1.796 -3.604 1.00 11.22 H new ATOM 0 HB2 ASP B 39 -9.437 1.327 -0.676 1.00 34.13 H new ATOM 0 HB3 ASP B 39 -8.443 2.645 -1.263 1.00 34.13 H new ATOM 1882 N LYS B 40 -7.732 -0.849 -1.861 1.00 73.31 N ATOM 1883 CA LYS B 40 -6.614 -1.758 -1.502 1.00 15.43 C ATOM 1884 C LYS B 40 -5.763 -2.149 -2.735 1.00 14.54 C ATOM 1885 O LYS B 40 -4.537 -2.272 -2.640 1.00 70.13 O ATOM 1886 CB LYS B 40 -7.151 -3.037 -0.810 1.00 44.45 C ATOM 1887 CG LYS B 40 -8.043 -2.784 0.433 1.00 2.21 C ATOM 1888 CD LYS B 40 -8.305 -4.084 1.230 1.00 60.14 C ATOM 1889 CE LYS B 40 -9.239 -3.902 2.447 1.00 4.30 C ATOM 1890 NZ LYS B 40 -10.661 -3.741 2.053 1.00 33.33 N ATOM 0 H LYS B 40 -8.650 -1.231 -1.633 1.00 73.31 H new ATOM 0 HA LYS B 40 -5.971 -1.214 -0.810 1.00 15.43 H new ATOM 0 HB2 LYS B 40 -7.723 -3.613 -1.538 1.00 44.45 H new ATOM 0 HB3 LYS B 40 -6.303 -3.653 -0.511 1.00 44.45 H new ATOM 0 HG2 LYS B 40 -7.563 -2.051 1.081 1.00 2.21 H new ATOM 0 HG3 LYS B 40 -8.993 -2.355 0.116 1.00 2.21 H new ATOM 0 HD2 LYS B 40 -8.739 -4.826 0.560 1.00 60.14 H new ATOM 0 HD3 LYS B 40 -7.351 -4.484 1.574 1.00 60.14 H new ATOM 0 HE2 LYS B 40 -9.143 -4.765 3.106 1.00 4.30 H new ATOM 0 HE3 LYS B 40 -8.922 -3.029 3.017 1.00 4.30 H new ATOM 0 HZ1 LYS B 40 -11.246 -3.622 2.905 1.00 33.33 H new ATOM 0 HZ2 LYS B 40 -10.760 -2.903 1.445 1.00 33.33 H new ATOM 0 HZ3 LYS B 40 -10.975 -4.585 1.532 1.00 33.33 H new ATOM 1904 N ASP B 41 -6.439 -2.322 -3.892 1.00 53.24 N ATOM 1905 CA ASP B 41 -5.780 -2.599 -5.189 1.00 13.21 C ATOM 1906 C ASP B 41 -4.876 -1.411 -5.615 1.00 31.13 C ATOM 1907 O ASP B 41 -3.804 -1.604 -6.204 1.00 12.10 O ATOM 1908 CB ASP B 41 -6.849 -2.882 -6.277 1.00 62.33 C ATOM 1909 CG ASP B 41 -7.628 -4.188 -6.050 1.00 64.31 C ATOM 1910 OD1 ASP B 41 -6.980 -5.249 -5.892 1.00 42.55 O ATOM 1911 OD2 ASP B 41 -8.875 -4.177 -6.071 1.00 34.22 O ATOM 0 H ASP B 41 -7.456 -2.274 -3.954 1.00 53.24 H new ATOM 0 HA ASP B 41 -5.149 -3.480 -5.075 1.00 13.21 H new ATOM 0 HB2 ASP B 41 -7.552 -2.050 -6.308 1.00 62.33 H new ATOM 0 HB3 ASP B 41 -6.362 -2.924 -7.251 1.00 62.33 H new ATOM 1916 N PHE B 42 -5.327 -0.188 -5.280 1.00 3.33 N ATOM 1917 CA PHE B 42 -4.586 1.056 -5.562 1.00 54.33 C ATOM 1918 C PHE B 42 -3.380 1.238 -4.604 1.00 23.42 C ATOM 1919 O PHE B 42 -2.325 1.689 -5.033 1.00 4.23 O ATOM 1920 CB PHE B 42 -5.539 2.284 -5.484 1.00 74.33 C ATOM 1921 CG PHE B 42 -4.862 3.613 -5.816 1.00 73.32 C ATOM 1922 CD1 PHE B 42 -4.352 3.847 -7.094 1.00 25.33 C ATOM 1923 CD2 PHE B 42 -4.714 4.618 -4.858 1.00 31.44 C ATOM 1924 CE1 PHE B 42 -3.717 5.031 -7.398 1.00 43.13 C ATOM 1925 CE2 PHE B 42 -4.074 5.805 -5.167 1.00 20.31 C ATOM 1926 CZ PHE B 42 -3.580 6.013 -6.439 1.00 42.54 C ATOM 0 H PHE B 42 -6.217 -0.034 -4.805 1.00 3.33 H new ATOM 0 HA PHE B 42 -4.189 0.982 -6.574 1.00 54.33 H new ATOM 0 HB2 PHE B 42 -6.372 2.130 -6.170 1.00 74.33 H new ATOM 0 HB3 PHE B 42 -5.960 2.342 -4.480 1.00 74.33 H new ATOM 0 HD1 PHE B 42 -4.457 3.089 -7.856 1.00 25.33 H new ATOM 0 HD2 PHE B 42 -5.104 4.467 -3.862 1.00 31.44 H new ATOM 0 HE1 PHE B 42 -3.325 5.191 -8.391 1.00 43.13 H new ATOM 0 HE2 PHE B 42 -3.961 6.569 -4.412 1.00 20.31 H new ATOM 0 HZ PHE B 42 -3.087 6.943 -6.683 1.00 42.54 H new ATOM 1936 N PHE B 43 -3.551 0.905 -3.308 1.00 13.24 N ATOM 1937 CA PHE B 43 -2.473 1.061 -2.285 1.00 30.02 C ATOM 1938 C PHE B 43 -1.284 0.110 -2.550 1.00 53.30 C ATOM 1939 O PHE B 43 -0.123 0.516 -2.453 1.00 42.11 O ATOM 1940 CB PHE B 43 -3.014 0.820 -0.851 1.00 2.41 C ATOM 1941 CG PHE B 43 -4.159 1.743 -0.435 1.00 43.41 C ATOM 1942 CD1 PHE B 43 -4.083 3.125 -0.622 1.00 63.32 C ATOM 1943 CD2 PHE B 43 -5.307 1.226 0.147 1.00 35.01 C ATOM 1944 CE1 PHE B 43 -5.125 3.946 -0.234 1.00 15.51 C ATOM 1945 CE2 PHE B 43 -6.345 2.042 0.534 1.00 30.32 C ATOM 1946 CZ PHE B 43 -6.257 3.405 0.339 1.00 5.43 C ATOM 0 H PHE B 43 -4.422 0.526 -2.936 1.00 13.24 H new ATOM 0 HA PHE B 43 -2.120 2.089 -2.365 1.00 30.02 H new ATOM 0 HB2 PHE B 43 -3.353 -0.213 -0.774 1.00 2.41 H new ATOM 0 HB3 PHE B 43 -2.194 0.940 -0.143 1.00 2.41 H new ATOM 0 HD1 PHE B 43 -3.202 3.556 -1.074 1.00 63.32 H new ATOM 0 HD2 PHE B 43 -5.388 0.160 0.300 1.00 35.01 H new ATOM 0 HE1 PHE B 43 -5.053 5.014 -0.380 1.00 15.51 H new ATOM 0 HE2 PHE B 43 -7.227 1.616 0.990 1.00 30.32 H new ATOM 0 HZ PHE B 43 -7.073 4.047 0.635 1.00 5.43 H new ATOM 1956 N LEU B 44 -1.599 -1.153 -2.879 1.00 71.33 N ATOM 1957 CA LEU B 44 -0.587 -2.177 -3.229 1.00 43.31 C ATOM 1958 C LEU B 44 0.053 -1.867 -4.606 1.00 32.12 C ATOM 1959 O LEU B 44 1.259 -2.072 -4.796 1.00 31.12 O ATOM 1960 CB LEU B 44 -1.230 -3.605 -3.206 1.00 45.53 C ATOM 1961 CG LEU B 44 -1.321 -4.307 -1.802 1.00 53.42 C ATOM 1962 CD1 LEU B 44 -2.153 -3.494 -0.781 1.00 53.12 C ATOM 1963 CD2 LEU B 44 -1.863 -5.755 -1.936 1.00 52.24 C ATOM 0 H LEU B 44 -2.558 -1.498 -2.911 1.00 71.33 H new ATOM 0 HA LEU B 44 0.208 -2.153 -2.484 1.00 43.31 H new ATOM 0 HB2 LEU B 44 -2.236 -3.533 -3.618 1.00 45.53 H new ATOM 0 HB3 LEU B 44 -0.657 -4.249 -3.874 1.00 45.53 H new ATOM 0 HG LEU B 44 -0.305 -4.354 -1.410 1.00 53.42 H new ATOM 0 HD11 LEU B 44 -2.182 -4.026 0.170 1.00 53.12 H new ATOM 0 HD12 LEU B 44 -1.695 -2.515 -0.636 1.00 53.12 H new ATOM 0 HD13 LEU B 44 -3.168 -3.368 -1.157 1.00 53.12 H new ATOM 0 HD21 LEU B 44 -1.915 -6.217 -0.950 1.00 52.24 H new ATOM 0 HD22 LEU B 44 -2.859 -5.731 -2.379 1.00 52.24 H new ATOM 0 HD23 LEU B 44 -1.196 -6.336 -2.573 1.00 52.24 H new ATOM 1975 N GLY B 45 -0.771 -1.363 -5.551 1.00 63.12 N ATOM 1976 CA GLY B 45 -0.291 -0.961 -6.882 1.00 74.24 C ATOM 1977 C GLY B 45 0.704 0.211 -6.840 1.00 64.41 C ATOM 1978 O GLY B 45 1.838 0.084 -7.299 1.00 14.11 O ATOM 0 H GLY B 45 -1.772 -1.227 -5.412 1.00 63.12 H new ATOM 0 HA2 GLY B 45 0.185 -1.816 -7.363 1.00 74.24 H new ATOM 0 HA3 GLY B 45 -1.145 -0.682 -7.500 1.00 74.24 H new ATOM 1982 N LEU B 46 0.278 1.346 -6.239 1.00 32.23 N ATOM 1983 CA LEU B 46 1.131 2.559 -6.074 1.00 65.22 C ATOM 1984 C LEU B 46 2.317 2.263 -5.118 1.00 13.14 C ATOM 1985 O LEU B 46 3.373 2.892 -5.213 1.00 55.43 O ATOM 1986 CB LEU B 46 0.276 3.784 -5.564 1.00 34.22 C ATOM 1987 CG LEU B 46 0.140 3.996 -3.995 1.00 3.44 C ATOM 1988 CD1 LEU B 46 1.262 4.892 -3.422 1.00 33.43 C ATOM 1989 CD2 LEU B 46 -1.240 4.554 -3.596 1.00 1.11 C ATOM 0 H LEU B 46 -0.661 1.453 -5.855 1.00 32.23 H new ATOM 0 HA LEU B 46 1.541 2.827 -7.048 1.00 65.22 H new ATOM 0 HB2 LEU B 46 0.707 4.691 -5.988 1.00 34.22 H new ATOM 0 HB3 LEU B 46 -0.728 3.685 -5.976 1.00 34.22 H new ATOM 0 HG LEU B 46 0.243 3.004 -3.556 1.00 3.44 H new ATOM 0 HD11 LEU B 46 1.123 5.006 -2.347 1.00 33.43 H new ATOM 0 HD12 LEU B 46 2.231 4.431 -3.616 1.00 33.43 H new ATOM 0 HD13 LEU B 46 1.224 5.872 -3.898 1.00 33.43 H new ATOM 0 HD21 LEU B 46 -1.282 4.681 -2.514 1.00 1.11 H new ATOM 0 HD22 LEU B 46 -1.397 5.518 -4.081 1.00 1.11 H new ATOM 0 HD23 LEU B 46 -2.018 3.859 -3.910 1.00 1.11 H new ATOM 2001 N GLY B 47 2.099 1.317 -4.183 1.00 3.32 N ATOM 2002 CA GLY B 47 3.143 0.859 -3.253 1.00 62.21 C ATOM 2003 C GLY B 47 4.289 0.149 -3.974 1.00 21.34 C ATOM 2004 O GLY B 47 5.452 0.212 -3.546 1.00 74.42 O ATOM 0 H GLY B 47 1.200 0.853 -4.054 1.00 3.32 H new ATOM 0 HA2 GLY B 47 3.537 1.713 -2.702 1.00 62.21 H new ATOM 0 HA3 GLY B 47 2.703 0.183 -2.520 1.00 62.21 H new ATOM 2008 N TRP B 48 3.951 -0.530 -5.093 1.00 1.41 N ATOM 2009 CA TRP B 48 4.954 -1.140 -5.983 1.00 11.03 C ATOM 2010 C TRP B 48 5.691 -0.039 -6.800 1.00 50.22 C ATOM 2011 O TRP B 48 6.880 -0.152 -7.081 1.00 42.41 O ATOM 2012 CB TRP B 48 4.304 -2.197 -6.913 1.00 34.43 C ATOM 2013 CG TRP B 48 5.290 -3.224 -7.426 1.00 44.14 C ATOM 2014 CD1 TRP B 48 6.109 -3.135 -8.519 1.00 72.42 C ATOM 2015 CD2 TRP B 48 5.568 -4.494 -6.822 1.00 61.22 C ATOM 2016 NE1 TRP B 48 6.892 -4.262 -8.612 1.00 11.42 N ATOM 2017 CE2 TRP B 48 6.564 -5.118 -7.590 1.00 75.32 C ATOM 2018 CE3 TRP B 48 5.059 -5.160 -5.704 1.00 61.33 C ATOM 2019 CZ2 TRP B 48 7.074 -6.370 -7.268 1.00 34.42 C ATOM 2020 CZ3 TRP B 48 5.563 -6.405 -5.389 1.00 20.15 C ATOM 2021 CH2 TRP B 48 6.558 -7.001 -6.169 1.00 35.12 C ATOM 0 H TRP B 48 2.988 -0.667 -5.398 1.00 1.41 H new ATOM 0 HA TRP B 48 5.692 -1.658 -5.370 1.00 11.03 H new ATOM 0 HB2 TRP B 48 3.506 -2.706 -6.372 1.00 34.43 H new ATOM 0 HB3 TRP B 48 3.842 -1.691 -7.761 1.00 34.43 H new ATOM 0 HD1 TRP B 48 6.136 -2.303 -9.207 1.00 72.42 H new ATOM 0 HE1 TRP B 48 7.601 -4.434 -9.325 1.00 11.42 H new ATOM 0 HE3 TRP B 48 4.287 -4.709 -5.099 1.00 61.33 H new ATOM 0 HZ2 TRP B 48 7.850 -6.828 -7.864 1.00 34.42 H new ATOM 0 HZ3 TRP B 48 5.182 -6.928 -4.524 1.00 20.15 H new ATOM 0 HH2 TRP B 48 6.927 -7.979 -5.899 1.00 35.12 H new ATOM 2032 N LEU B 49 4.966 1.035 -7.161 1.00 71.15 N ATOM 2033 CA LEU B 49 5.567 2.252 -7.785 1.00 44.34 C ATOM 2034 C LEU B 49 6.582 2.939 -6.822 1.00 3.44 C ATOM 2035 O LEU B 49 7.566 3.529 -7.275 1.00 55.32 O ATOM 2036 CB LEU B 49 4.452 3.266 -8.214 1.00 33.43 C ATOM 2037 CG LEU B 49 3.710 3.008 -9.571 1.00 63.22 C ATOM 2038 CD1 LEU B 49 3.257 1.565 -9.712 1.00 2.12 C ATOM 2039 CD2 LEU B 49 2.505 3.962 -9.740 1.00 5.51 C ATOM 0 H LEU B 49 3.956 1.095 -7.035 1.00 71.15 H new ATOM 0 HA LEU B 49 6.108 1.933 -8.676 1.00 44.34 H new ATOM 0 HB2 LEU B 49 3.703 3.294 -7.423 1.00 33.43 H new ATOM 0 HB3 LEU B 49 4.902 4.258 -8.262 1.00 33.43 H new ATOM 0 HG LEU B 49 4.431 3.209 -10.363 1.00 63.22 H new ATOM 0 HD11 LEU B 49 2.748 1.435 -10.667 1.00 2.12 H new ATOM 0 HD12 LEU B 49 4.124 0.906 -9.670 1.00 2.12 H new ATOM 0 HD13 LEU B 49 2.573 1.317 -8.900 1.00 2.12 H new ATOM 0 HD21 LEU B 49 2.011 3.759 -10.690 1.00 5.51 H new ATOM 0 HD22 LEU B 49 1.800 3.806 -8.924 1.00 5.51 H new ATOM 0 HD23 LEU B 49 2.854 4.995 -9.726 1.00 5.51 H new ATOM 2051 N LEU B 50 6.311 2.857 -5.497 1.00 55.03 N ATOM 2052 CA LEU B 50 7.224 3.371 -4.444 1.00 22.21 C ATOM 2053 C LEU B 50 8.503 2.500 -4.311 1.00 3.34 C ATOM 2054 O LEU B 50 9.593 3.038 -4.109 1.00 64.20 O ATOM 2055 CB LEU B 50 6.487 3.477 -3.072 1.00 51.14 C ATOM 2056 CG LEU B 50 5.367 4.569 -2.973 1.00 33.02 C ATOM 2057 CD1 LEU B 50 4.674 4.548 -1.589 1.00 60.51 C ATOM 2058 CD2 LEU B 50 5.929 5.976 -3.292 1.00 52.12 C ATOM 0 H LEU B 50 5.459 2.435 -5.128 1.00 55.03 H new ATOM 0 HA LEU B 50 7.537 4.370 -4.748 1.00 22.21 H new ATOM 0 HB2 LEU B 50 6.042 2.508 -2.846 1.00 51.14 H new ATOM 0 HB3 LEU B 50 7.229 3.675 -2.299 1.00 51.14 H new ATOM 0 HG LEU B 50 4.612 4.331 -3.722 1.00 33.02 H new ATOM 0 HD11 LEU B 50 3.903 5.318 -1.556 1.00 60.51 H new ATOM 0 HD12 LEU B 50 4.218 3.571 -1.425 1.00 60.51 H new ATOM 0 HD13 LEU B 50 5.412 4.740 -0.810 1.00 60.51 H new ATOM 0 HD21 LEU B 50 5.130 6.713 -3.216 1.00 52.12 H new ATOM 0 HD22 LEU B 50 6.719 6.222 -2.582 1.00 52.12 H new ATOM 0 HD23 LEU B 50 6.335 5.985 -4.303 1.00 52.12 H new ATOM 2070 N ARG B 51 8.377 1.151 -4.427 1.00 12.54 N ATOM 2071 CA ARG B 51 9.564 0.242 -4.393 1.00 43.13 C ATOM 2072 C ARG B 51 10.372 0.305 -5.707 1.00 13.24 C ATOM 2073 O ARG B 51 11.551 -0.067 -5.736 1.00 61.13 O ATOM 2074 CB ARG B 51 9.166 -1.224 -3.994 1.00 62.41 C ATOM 2075 CG ARG B 51 8.266 -2.040 -4.962 1.00 24.11 C ATOM 2076 CD ARG B 51 9.035 -2.743 -6.097 1.00 40.10 C ATOM 2077 NE ARG B 51 10.000 -3.717 -5.571 1.00 3.11 N ATOM 2078 CZ ARG B 51 11.185 -3.991 -6.068 1.00 63.14 C ATOM 2079 NH1 ARG B 51 11.577 -3.494 -7.193 1.00 51.25 N ATOM 2080 NH2 ARG B 51 11.958 -4.804 -5.431 1.00 24.24 N ATOM 0 H ARG B 51 7.484 0.672 -4.543 1.00 12.54 H new ATOM 0 HA ARG B 51 10.228 0.603 -3.607 1.00 43.13 H new ATOM 0 HB2 ARG B 51 10.087 -1.788 -3.844 1.00 62.41 H new ATOM 0 HB3 ARG B 51 8.659 -1.179 -3.030 1.00 62.41 H new ATOM 0 HG2 ARG B 51 7.721 -2.790 -4.389 1.00 24.11 H new ATOM 0 HG3 ARG B 51 7.524 -1.372 -5.400 1.00 24.11 H new ATOM 0 HD2 ARG B 51 8.330 -3.248 -6.757 1.00 40.10 H new ATOM 0 HD3 ARG B 51 9.558 -1.999 -6.698 1.00 40.10 H new ATOM 0 HE ARG B 51 9.722 -4.233 -4.736 1.00 3.11 H new ATOM 0 HH11 ARG B 51 10.962 -2.873 -7.718 1.00 51.25 H new ATOM 0 HH12 ARG B 51 12.502 -3.723 -7.557 1.00 51.25 H new ATOM 0 HH21 ARG B 51 11.646 -5.224 -4.555 1.00 24.24 H new ATOM 0 HH22 ARG B 51 12.881 -5.027 -5.803 1.00 24.24 H new ATOM 2094 N GLU B 52 9.723 0.756 -6.798 1.00 4.10 N ATOM 2095 CA GLU B 52 10.413 1.058 -8.071 1.00 4.23 C ATOM 2096 C GLU B 52 10.987 2.493 -8.066 1.00 64.22 C ATOM 2097 O GLU B 52 11.801 2.839 -8.932 1.00 32.51 O ATOM 2098 CB GLU B 52 9.453 0.877 -9.278 1.00 25.21 C ATOM 2099 CG GLU B 52 8.900 -0.557 -9.484 1.00 60.02 C ATOM 2100 CD GLU B 52 9.973 -1.647 -9.706 1.00 73.14 C ATOM 2101 OE1 GLU B 52 11.041 -1.361 -10.291 1.00 54.24 O ATOM 2102 OE2 GLU B 52 9.747 -2.804 -9.295 1.00 15.40 O ATOM 0 H GLU B 52 8.717 0.920 -6.824 1.00 4.10 H new ATOM 0 HA GLU B 52 11.239 0.354 -8.171 1.00 4.23 H new ATOM 0 HB2 GLU B 52 8.611 1.558 -9.155 1.00 25.21 H new ATOM 0 HB3 GLU B 52 9.977 1.179 -10.185 1.00 25.21 H new ATOM 0 HG2 GLU B 52 8.303 -0.828 -8.613 1.00 60.02 H new ATOM 0 HG3 GLU B 52 8.228 -0.551 -10.342 1.00 60.02 H new ATOM 2109 N ASP B 53 10.497 3.320 -7.112 1.00 65.11 N ATOM 2110 CA ASP B 53 10.928 4.724 -6.891 1.00 43.22 C ATOM 2111 C ASP B 53 10.511 5.645 -8.077 1.00 72.33 C ATOM 2112 O ASP B 53 11.047 6.743 -8.268 1.00 64.31 O ATOM 2113 CB ASP B 53 12.458 4.782 -6.577 1.00 52.10 C ATOM 2114 CG ASP B 53 12.928 6.137 -6.018 1.00 42.01 C ATOM 2115 OD1 ASP B 53 12.468 6.522 -4.919 1.00 23.30 O ATOM 2116 OD2 ASP B 53 13.747 6.820 -6.673 1.00 52.23 O ATOM 0 H ASP B 53 9.773 3.023 -6.458 1.00 65.11 H new ATOM 0 HA ASP B 53 10.408 5.115 -6.016 1.00 43.22 H new ATOM 0 HB2 ASP B 53 12.702 3.999 -5.859 1.00 52.10 H new ATOM 0 HB3 ASP B 53 13.015 4.563 -7.488 1.00 52.10 H new ATOM 2121 N LYS B 54 9.484 5.207 -8.829 1.00 55.30 N ATOM 2122 CA LYS B 54 9.010 5.908 -10.043 1.00 51.52 C ATOM 2123 C LYS B 54 7.946 6.986 -9.744 1.00 10.00 C ATOM 2124 O LYS B 54 7.567 7.731 -10.654 1.00 23.10 O ATOM 2125 CB LYS B 54 8.454 4.889 -11.075 1.00 43.21 C ATOM 2126 CG LYS B 54 9.517 3.931 -11.651 1.00 73.41 C ATOM 2127 CD LYS B 54 8.988 3.039 -12.798 1.00 50.22 C ATOM 2128 CE LYS B 54 7.856 2.093 -12.362 1.00 42.33 C ATOM 2129 NZ LYS B 54 7.430 1.202 -13.460 1.00 11.25 N ATOM 0 H LYS B 54 8.959 4.359 -8.615 1.00 55.30 H new ATOM 0 HA LYS B 54 9.876 6.422 -10.460 1.00 51.52 H new ATOM 0 HB2 LYS B 54 7.669 4.300 -10.601 1.00 43.21 H new ATOM 0 HB3 LYS B 54 7.991 5.436 -11.896 1.00 43.21 H new ATOM 0 HG2 LYS B 54 10.361 4.516 -12.016 1.00 73.41 H new ATOM 0 HG3 LYS B 54 9.893 3.294 -10.850 1.00 73.41 H new ATOM 0 HD2 LYS B 54 8.629 3.675 -13.607 1.00 50.22 H new ATOM 0 HD3 LYS B 54 9.812 2.448 -13.199 1.00 50.22 H new ATOM 0 HE2 LYS B 54 8.190 1.492 -11.516 1.00 42.33 H new ATOM 0 HE3 LYS B 54 7.004 2.680 -12.019 1.00 42.33 H new ATOM 0 HZ1 LYS B 54 6.666 0.580 -13.126 1.00 11.25 H new ATOM 0 HZ2 LYS B 54 7.087 1.774 -14.258 1.00 11.25 H new ATOM 0 HZ3 LYS B 54 8.237 0.623 -13.770 1.00 11.25 H new ATOM 2143 N VAL B 55 7.461 7.084 -8.480 1.00 11.23 N ATOM 2144 CA VAL B 55 6.436 8.101 -8.097 1.00 75.25 C ATOM 2145 C VAL B 55 6.773 8.828 -6.783 1.00 51.11 C ATOM 2146 O VAL B 55 7.584 8.373 -5.972 1.00 72.44 O ATOM 2147 CB VAL B 55 4.973 7.518 -7.981 1.00 31.34 C ATOM 2148 CG1 VAL B 55 4.501 6.920 -9.319 1.00 72.12 C ATOM 2149 CG2 VAL B 55 4.844 6.501 -6.818 1.00 31.24 C ATOM 0 H VAL B 55 7.756 6.480 -7.713 1.00 11.23 H new ATOM 0 HA VAL B 55 6.462 8.812 -8.923 1.00 75.25 H new ATOM 0 HB VAL B 55 4.311 8.351 -7.744 1.00 31.34 H new ATOM 0 HG11 VAL B 55 3.491 6.527 -9.206 1.00 72.12 H new ATOM 0 HG12 VAL B 55 4.505 7.695 -10.086 1.00 72.12 H new ATOM 0 HG13 VAL B 55 5.173 6.114 -9.614 1.00 72.12 H new ATOM 0 HG21 VAL B 55 3.822 6.125 -6.775 1.00 31.24 H new ATOM 0 HG22 VAL B 55 5.529 5.670 -6.984 1.00 31.24 H new ATOM 0 HG23 VAL B 55 5.090 6.992 -5.876 1.00 31.24 H new ATOM 2159 N VAL B 56 6.112 9.976 -6.614 1.00 14.44 N ATOM 2160 CA VAL B 56 6.117 10.775 -5.396 1.00 62.13 C ATOM 2161 C VAL B 56 4.656 11.093 -5.014 1.00 31.51 C ATOM 2162 O VAL B 56 3.850 11.533 -5.850 1.00 65.12 O ATOM 2163 CB VAL B 56 6.992 12.083 -5.544 1.00 34.03 C ATOM 2164 CG1 VAL B 56 6.535 12.964 -6.740 1.00 53.42 C ATOM 2165 CG2 VAL B 56 7.030 12.893 -4.215 1.00 51.11 C ATOM 0 H VAL B 56 5.539 10.386 -7.352 1.00 14.44 H new ATOM 0 HA VAL B 56 6.584 10.204 -4.593 1.00 62.13 H new ATOM 0 HB VAL B 56 8.010 11.762 -5.764 1.00 34.03 H new ATOM 0 HG11 VAL B 56 7.166 13.851 -6.801 1.00 53.42 H new ATOM 0 HG12 VAL B 56 6.620 12.394 -7.665 1.00 53.42 H new ATOM 0 HG13 VAL B 56 5.498 13.266 -6.594 1.00 53.42 H new ATOM 0 HG21 VAL B 56 7.640 13.786 -4.351 1.00 51.11 H new ATOM 0 HG22 VAL B 56 6.017 13.184 -3.937 1.00 51.11 H new ATOM 0 HG23 VAL B 56 7.460 12.277 -3.425 1.00 51.11 H new ATOM 2175 N THR B 57 4.322 10.844 -3.750 1.00 23.41 N ATOM 2176 CA THR B 57 2.944 10.888 -3.254 1.00 45.02 C ATOM 2177 C THR B 57 2.716 12.170 -2.421 1.00 64.44 C ATOM 2178 O THR B 57 3.507 12.500 -1.529 1.00 72.12 O ATOM 2179 CB THR B 57 2.658 9.615 -2.397 1.00 10.44 C ATOM 2180 OG1 THR B 57 3.587 9.556 -1.316 1.00 41.51 O ATOM 2181 CG2 THR B 57 2.787 8.323 -3.219 1.00 62.21 C ATOM 0 H THR B 57 5.005 10.603 -3.032 1.00 23.41 H new ATOM 0 HA THR B 57 2.256 10.906 -4.099 1.00 45.02 H new ATOM 0 HB THR B 57 1.633 9.689 -2.033 1.00 10.44 H new ATOM 0 HG1 THR B 57 3.930 10.455 -1.130 1.00 41.51 H new ATOM 0 HG21 THR B 57 2.579 7.464 -2.581 1.00 62.21 H new ATOM 0 HG22 THR B 57 2.074 8.344 -4.044 1.00 62.21 H new ATOM 0 HG23 THR B 57 3.799 8.244 -3.616 1.00 62.21 H new ATOM 2189 N SER B 58 1.614 12.869 -2.714 1.00 53.31 N ATOM 2190 CA SER B 58 1.268 14.172 -2.097 1.00 10.22 C ATOM 2191 C SER B 58 -0.240 14.224 -1.795 1.00 33.52 C ATOM 2192 O SER B 58 -1.008 13.424 -2.328 1.00 63.42 O ATOM 2193 CB SER B 58 1.682 15.334 -3.041 1.00 5.52 C ATOM 2194 OG SER B 58 1.121 15.188 -4.343 1.00 25.32 O ATOM 0 H SER B 58 0.923 12.549 -3.393 1.00 53.31 H new ATOM 0 HA SER B 58 1.812 14.282 -1.159 1.00 10.22 H new ATOM 0 HB2 SER B 58 1.360 16.283 -2.611 1.00 5.52 H new ATOM 0 HB3 SER B 58 2.769 15.371 -3.116 1.00 5.52 H new ATOM 0 HG SER B 58 0.626 14.344 -4.393 1.00 25.32 H new ATOM 2200 N GLU B 59 -0.666 15.172 -0.946 1.00 34.00 N ATOM 2201 CA GLU B 59 -2.081 15.284 -0.518 1.00 1.14 C ATOM 2202 C GLU B 59 -2.746 16.534 -1.132 1.00 62.42 C ATOM 2203 O GLU B 59 -2.303 17.664 -0.900 1.00 64.42 O ATOM 2204 CB GLU B 59 -2.182 15.335 1.030 1.00 75.41 C ATOM 2205 CG GLU B 59 -3.627 15.419 1.568 1.00 71.24 C ATOM 2206 CD GLU B 59 -3.710 15.534 3.102 1.00 15.51 C ATOM 2207 OE1 GLU B 59 -3.356 16.606 3.647 1.00 55.24 O ATOM 2208 OE2 GLU B 59 -4.117 14.560 3.765 1.00 45.31 O ATOM 0 H GLU B 59 -0.053 15.877 -0.538 1.00 34.00 H new ATOM 0 HA GLU B 59 -2.609 14.400 -0.876 1.00 1.14 H new ATOM 0 HB2 GLU B 59 -1.703 14.447 1.443 1.00 75.41 H new ATOM 0 HB3 GLU B 59 -1.621 16.197 1.391 1.00 75.41 H new ATOM 0 HG2 GLU B 59 -4.123 16.280 1.120 1.00 71.24 H new ATOM 0 HG3 GLU B 59 -4.177 14.534 1.248 1.00 71.24 H new ATOM 2215 N VAL B 60 -3.807 16.310 -1.931 1.00 74.55 N ATOM 2216 CA VAL B 60 -4.700 17.380 -2.421 1.00 44.05 C ATOM 2217 C VAL B 60 -6.071 17.239 -1.729 1.00 40.44 C ATOM 2218 O VAL B 60 -6.814 16.280 -1.989 1.00 12.03 O ATOM 2219 CB VAL B 60 -4.860 17.344 -3.991 1.00 2.13 C ATOM 2220 CG1 VAL B 60 -5.932 18.357 -4.491 1.00 64.42 C ATOM 2221 CG2 VAL B 60 -3.499 17.619 -4.673 1.00 12.53 C ATOM 0 H VAL B 60 -4.070 15.380 -2.256 1.00 74.55 H new ATOM 0 HA VAL B 60 -4.256 18.345 -2.175 1.00 44.05 H new ATOM 0 HB VAL B 60 -5.203 16.346 -4.264 1.00 2.13 H new ATOM 0 HG11 VAL B 60 -6.009 18.299 -5.577 1.00 64.42 H new ATOM 0 HG12 VAL B 60 -6.897 18.115 -4.045 1.00 64.42 H new ATOM 0 HG13 VAL B 60 -5.641 19.367 -4.202 1.00 64.42 H new ATOM 0 HG21 VAL B 60 -3.622 17.591 -5.756 1.00 12.53 H new ATOM 0 HG22 VAL B 60 -3.134 18.602 -4.374 1.00 12.53 H new ATOM 0 HG23 VAL B 60 -2.780 16.858 -4.370 1.00 12.53 H new ATOM 2231 N GLU B 61 -6.363 18.195 -0.823 1.00 53.44 N ATOM 2232 CA GLU B 61 -7.656 18.325 -0.110 1.00 44.11 C ATOM 2233 C GLU B 61 -8.077 17.020 0.636 1.00 2.25 C ATOM 2234 O GLU B 61 -9.204 16.526 0.484 1.00 53.12 O ATOM 2235 CB GLU B 61 -8.768 18.827 -1.084 1.00 34.32 C ATOM 2236 CG GLU B 61 -8.358 20.039 -1.952 1.00 21.21 C ATOM 2237 CD GLU B 61 -9.532 20.680 -2.704 1.00 3.23 C ATOM 2238 OE1 GLU B 61 -10.101 20.023 -3.596 1.00 72.21 O ATOM 2239 OE2 GLU B 61 -9.899 21.836 -2.399 1.00 71.01 O ATOM 0 H GLU B 61 -5.692 18.916 -0.559 1.00 53.44 H new ATOM 0 HA GLU B 61 -7.520 19.074 0.670 1.00 44.11 H new ATOM 0 HB2 GLU B 61 -9.056 18.006 -1.741 1.00 34.32 H new ATOM 0 HB3 GLU B 61 -9.650 19.094 -0.502 1.00 34.32 H new ATOM 0 HG2 GLU B 61 -7.891 20.790 -1.315 1.00 21.21 H new ATOM 0 HG3 GLU B 61 -7.605 19.721 -2.673 1.00 21.21 H new ATOM 2246 N GLY B 62 -7.143 16.474 1.445 1.00 1.23 N ATOM 2247 CA GLY B 62 -7.406 15.271 2.257 1.00 15.21 C ATOM 2248 C GLY B 62 -7.384 13.940 1.483 1.00 64.24 C ATOM 2249 O GLY B 62 -7.720 12.894 2.048 1.00 24.32 O ATOM 0 H GLY B 62 -6.201 16.849 1.551 1.00 1.23 H new ATOM 0 HA2 GLY B 62 -6.665 15.221 3.055 1.00 15.21 H new ATOM 0 HA3 GLY B 62 -8.380 15.380 2.734 1.00 15.21 H new ATOM 2253 N GLU B 63 -6.979 13.966 0.196 1.00 51.51 N ATOM 2254 CA GLU B 63 -6.956 12.759 -0.677 1.00 32.21 C ATOM 2255 C GLU B 63 -5.547 12.490 -1.247 1.00 75.24 C ATOM 2256 O GLU B 63 -4.721 13.403 -1.367 1.00 65.42 O ATOM 2257 CB GLU B 63 -7.975 12.904 -1.840 1.00 64.02 C ATOM 2258 CG GLU B 63 -9.439 13.079 -1.388 1.00 33.12 C ATOM 2259 CD GLU B 63 -10.427 13.015 -2.557 1.00 32.41 C ATOM 2260 OE1 GLU B 63 -10.675 14.056 -3.197 1.00 33.15 O ATOM 2261 OE2 GLU B 63 -10.938 11.910 -2.858 1.00 40.34 O ATOM 0 H GLU B 63 -6.660 14.815 -0.271 1.00 51.51 H new ATOM 0 HA GLU B 63 -7.237 11.908 -0.056 1.00 32.21 H new ATOM 0 HB2 GLU B 63 -7.691 13.761 -2.450 1.00 64.02 H new ATOM 0 HB3 GLU B 63 -7.908 12.023 -2.478 1.00 64.02 H new ATOM 0 HG2 GLU B 63 -9.687 12.303 -0.664 1.00 33.12 H new ATOM 0 HG3 GLU B 63 -9.546 14.036 -0.878 1.00 33.12 H new ATOM 2268 N ILE B 64 -5.304 11.219 -1.624 1.00 35.04 N ATOM 2269 CA ILE B 64 -4.007 10.764 -2.158 1.00 54.34 C ATOM 2270 C ILE B 64 -3.878 11.115 -3.665 1.00 42.14 C ATOM 2271 O ILE B 64 -4.647 10.630 -4.505 1.00 64.32 O ATOM 2272 CB ILE B 64 -3.808 9.214 -1.932 1.00 33.35 C ATOM 2273 CG1 ILE B 64 -3.921 8.867 -0.408 1.00 64.32 C ATOM 2274 CG2 ILE B 64 -2.452 8.728 -2.511 1.00 13.44 C ATOM 2275 CD1 ILE B 64 -3.746 7.391 -0.061 1.00 64.30 C ATOM 0 H ILE B 64 -6.003 10.479 -1.566 1.00 35.04 H new ATOM 0 HA ILE B 64 -3.222 11.288 -1.613 1.00 54.34 H new ATOM 0 HB ILE B 64 -4.600 8.690 -2.467 1.00 33.35 H new ATOM 0 HG12 ILE B 64 -3.172 9.442 0.135 1.00 64.32 H new ATOM 0 HG13 ILE B 64 -4.897 9.195 -0.049 1.00 64.32 H new ATOM 0 HG21 ILE B 64 -2.346 7.657 -2.339 1.00 13.44 H new ATOM 0 HG22 ILE B 64 -2.421 8.928 -3.582 1.00 13.44 H new ATOM 0 HG23 ILE B 64 -1.636 9.257 -2.019 1.00 13.44 H new ATOM 0 HD11 ILE B 64 -3.842 7.257 1.016 1.00 64.30 H new ATOM 0 HD12 ILE B 64 -4.511 6.805 -0.569 1.00 64.30 H new ATOM 0 HD13 ILE B 64 -2.760 7.056 -0.382 1.00 64.30 H new ATOM 2287 N PHE B 65 -2.901 11.977 -3.965 1.00 62.33 N ATOM 2288 CA PHE B 65 -2.549 12.416 -5.327 1.00 5.43 C ATOM 2289 C PHE B 65 -1.111 11.939 -5.646 1.00 75.22 C ATOM 2290 O PHE B 65 -0.130 12.506 -5.137 1.00 33.24 O ATOM 2291 CB PHE B 65 -2.662 13.966 -5.419 1.00 3.31 C ATOM 2292 CG PHE B 65 -2.265 14.570 -6.775 1.00 24.34 C ATOM 2293 CD1 PHE B 65 -3.170 14.611 -7.832 1.00 31.50 C ATOM 2294 CD2 PHE B 65 -0.986 15.099 -6.989 1.00 35.50 C ATOM 2295 CE1 PHE B 65 -2.818 15.151 -9.055 1.00 13.44 C ATOM 2296 CE2 PHE B 65 -0.634 15.637 -8.212 1.00 64.44 C ATOM 2297 CZ PHE B 65 -1.550 15.664 -9.245 1.00 30.23 C ATOM 0 H PHE B 65 -2.314 12.403 -3.248 1.00 62.33 H new ATOM 0 HA PHE B 65 -3.233 11.984 -6.057 1.00 5.43 H new ATOM 0 HB2 PHE B 65 -3.690 14.253 -5.198 1.00 3.31 H new ATOM 0 HB3 PHE B 65 -2.034 14.407 -4.645 1.00 3.31 H new ATOM 0 HD1 PHE B 65 -4.165 14.214 -7.694 1.00 31.50 H new ATOM 0 HD2 PHE B 65 -0.264 15.086 -6.186 1.00 35.50 H new ATOM 0 HE1 PHE B 65 -3.535 15.172 -9.862 1.00 13.44 H new ATOM 0 HE2 PHE B 65 0.358 16.037 -8.360 1.00 64.44 H new ATOM 0 HZ PHE B 65 -1.275 16.086 -10.200 1.00 30.23 H new ATOM 2307 N VAL B 66 -0.990 10.880 -6.459 1.00 24.31 N ATOM 2308 CA VAL B 66 0.323 10.315 -6.849 1.00 50.31 C ATOM 2309 C VAL B 66 0.739 10.841 -8.245 1.00 3.32 C ATOM 2310 O VAL B 66 -0.118 11.102 -9.102 1.00 72.21 O ATOM 2311 CB VAL B 66 0.307 8.736 -6.820 1.00 0.34 C ATOM 2312 CG1 VAL B 66 -0.126 8.209 -5.431 1.00 53.41 C ATOM 2313 CG2 VAL B 66 -0.600 8.147 -7.918 1.00 15.12 C ATOM 0 H VAL B 66 -1.787 10.390 -6.865 1.00 24.31 H new ATOM 0 HA VAL B 66 1.063 10.643 -6.119 1.00 50.31 H new ATOM 0 HB VAL B 66 1.327 8.407 -7.018 1.00 0.34 H new ATOM 0 HG11 VAL B 66 -0.128 7.119 -5.440 1.00 53.41 H new ATOM 0 HG12 VAL B 66 0.572 8.564 -4.673 1.00 53.41 H new ATOM 0 HG13 VAL B 66 -1.128 8.572 -5.200 1.00 53.41 H new ATOM 0 HG21 VAL B 66 -0.581 7.059 -7.861 1.00 15.12 H new ATOM 0 HG22 VAL B 66 -1.621 8.500 -7.774 1.00 15.12 H new ATOM 0 HG23 VAL B 66 -0.240 8.465 -8.897 1.00 15.12 H new ATOM 2323 N LYS B 67 2.053 11.028 -8.454 1.00 22.24 N ATOM 2324 CA LYS B 67 2.603 11.541 -9.736 1.00 73.21 C ATOM 2325 C LYS B 67 4.048 11.054 -9.921 1.00 43.12 C ATOM 2326 O LYS B 67 4.721 10.790 -8.941 1.00 34.31 O ATOM 2327 CB LYS B 67 2.534 13.096 -9.764 1.00 13.23 C ATOM 2328 CG LYS B 67 3.252 13.794 -8.588 1.00 50.30 C ATOM 2329 CD LYS B 67 3.152 15.332 -8.648 1.00 63.11 C ATOM 2330 CE LYS B 67 3.847 16.008 -7.452 1.00 42.30 C ATOM 2331 NZ LYS B 67 3.268 15.592 -6.143 1.00 4.21 N ATOM 0 H LYS B 67 2.765 10.832 -7.750 1.00 22.24 H new ATOM 0 HA LYS B 67 2.003 11.157 -10.561 1.00 73.21 H new ATOM 0 HB2 LYS B 67 2.969 13.449 -10.699 1.00 13.23 H new ATOM 0 HB3 LYS B 67 1.487 13.400 -9.765 1.00 13.23 H new ATOM 0 HG2 LYS B 67 2.824 13.444 -7.649 1.00 50.30 H new ATOM 0 HG3 LYS B 67 4.303 13.504 -8.587 1.00 50.30 H new ATOM 0 HD2 LYS B 67 3.601 15.688 -9.575 1.00 63.11 H new ATOM 0 HD3 LYS B 67 2.102 15.625 -8.669 1.00 63.11 H new ATOM 0 HE2 LYS B 67 4.909 15.765 -7.469 1.00 42.30 H new ATOM 0 HE3 LYS B 67 3.766 17.090 -7.554 1.00 42.30 H new ATOM 0 HZ1 LYS B 67 3.584 16.247 -5.400 1.00 4.21 H new ATOM 0 HZ2 LYS B 67 2.230 15.609 -6.202 1.00 4.21 H new ATOM 0 HZ3 LYS B 67 3.586 14.629 -5.913 1.00 4.21 H new ATOM 2345 N LEU B 68 4.527 10.961 -11.170 1.00 24.34 N ATOM 2346 CA LEU B 68 5.881 10.424 -11.465 1.00 25.35 C ATOM 2347 C LEU B 68 7.001 11.368 -10.963 1.00 61.10 C ATOM 2348 O LEU B 68 6.808 12.590 -10.903 1.00 43.21 O ATOM 2349 CB LEU B 68 6.045 10.165 -12.986 1.00 51.02 C ATOM 2350 CG LEU B 68 4.981 9.225 -13.637 1.00 12.12 C ATOM 2351 CD1 LEU B 68 5.290 8.967 -15.123 1.00 60.23 C ATOM 2352 CD2 LEU B 68 4.851 7.900 -12.860 1.00 53.35 C ATOM 0 H LEU B 68 4.004 11.248 -11.997 1.00 24.34 H new ATOM 0 HA LEU B 68 5.977 9.480 -10.928 1.00 25.35 H new ATOM 0 HB2 LEU B 68 6.019 11.124 -13.503 1.00 51.02 H new ATOM 0 HB3 LEU B 68 7.033 9.737 -13.158 1.00 51.02 H new ATOM 0 HG LEU B 68 4.020 9.737 -13.584 1.00 12.12 H new ATOM 0 HD11 LEU B 68 4.530 8.309 -15.544 1.00 60.23 H new ATOM 0 HD12 LEU B 68 5.291 9.913 -15.664 1.00 60.23 H new ATOM 0 HD13 LEU B 68 6.269 8.496 -15.215 1.00 60.23 H new ATOM 0 HD21 LEU B 68 4.103 7.269 -13.339 1.00 53.35 H new ATOM 0 HD22 LEU B 68 5.811 7.385 -12.856 1.00 53.35 H new ATOM 0 HD23 LEU B 68 4.547 8.108 -11.834 1.00 53.35 H new ATOM 2364 N VAL B 69 8.169 10.791 -10.596 1.00 31.14 N ATOM 2365 CA VAL B 69 9.362 11.578 -10.197 1.00 3.21 C ATOM 2366 C VAL B 69 10.018 12.206 -11.457 1.00 24.14 C ATOM 2367 O VAL B 69 10.971 11.669 -12.036 1.00 53.31 O ATOM 2368 CB VAL B 69 10.417 10.718 -9.386 1.00 53.42 C ATOM 2369 CG1 VAL B 69 11.624 11.575 -8.908 1.00 61.00 C ATOM 2370 CG2 VAL B 69 9.762 9.993 -8.192 1.00 44.00 C ATOM 0 H VAL B 69 8.312 9.781 -10.568 1.00 31.14 H new ATOM 0 HA VAL B 69 9.026 12.368 -9.526 1.00 3.21 H new ATOM 0 HB VAL B 69 10.797 9.964 -10.075 1.00 53.42 H new ATOM 0 HG11 VAL B 69 12.322 10.945 -8.357 1.00 61.00 H new ATOM 0 HG12 VAL B 69 12.129 12.006 -9.772 1.00 61.00 H new ATOM 0 HG13 VAL B 69 11.268 12.376 -8.260 1.00 61.00 H new ATOM 0 HG21 VAL B 69 10.516 9.413 -7.660 1.00 44.00 H new ATOM 0 HG22 VAL B 69 9.325 10.728 -7.516 1.00 44.00 H new ATOM 0 HG23 VAL B 69 8.981 9.325 -8.556 1.00 44.00 H new