USER MOD reduce.3.24.130724 H: found=0, std=0, add=973, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 973 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 ASN : amide:sc= 0.342 K(o=-1.2,f=-5.1!) USER MOD Set 1.2: A 124 GLN : amide:sc= -1.5 K(o=-1.2,f=-7.9!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 170:sc= -0.799 USER MOD Single : A 22 THR OG1 : rot 75:sc= 0.06 USER MOD Single : A 25 ASN : amide:sc= -0.257 K(o=-0.26,f=-0.91!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0119 USER MOD Single : A 34 TYR OH : rot 99:sc= 0.825 USER MOD Single : A 37 MET CE :methyl -114:sc= -1.3 (180deg=-5.01!) USER MOD Single : A 38 HIS : no HD1:sc= -3.09 X(o=-3.1,f=-3.5) USER MOD Single : A 42 GLN : amide:sc= -3.34! K(o=-3.3!,f=-0.042) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 52:sc= 0.273 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 59 GLN : amide:sc= -0.0811 K(o=-0.081,f=-0.97) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.501 X(o=-0.5,f=-0.36) USER MOD Single : A 70 CYS SG : rot -72:sc= -0.459 USER MOD Single : A 71 TYR OH : rot -158:sc= 1.35 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0.898 (180deg=0.898) USER MOD Single : A 92 SER OG : rot -135:sc= 1.1 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 175:sc= 0.664 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 0:sc= -1.44 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 90:sc= -2.85! USER MOD Single : A 117 THR OG1 : rot -39:sc= 0.349 USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=0.51) USER MOD Single : A 121 GLN : amide:sc= -0.56 X(o=-0.56,f=-0.51) USER MOD Single : A 126 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.1) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 143 ASN : amide:sc= -0.431 K(o=-0.43,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 14 -4.565 6.992 -4.148 1.00 13.32 N ATOM 64 CA VAL A 14 -4.892 7.596 -2.862 1.00 4.35 C ATOM 65 C VAL A 14 -3.861 8.650 -2.472 1.00 41.00 C ATOM 66 O VAL A 14 -2.668 8.361 -2.375 1.00 74.24 O ATOM 67 CB VAL A 14 -4.971 6.536 -1.747 1.00 74.35 C ATOM 68 CG1 VAL A 14 -3.690 5.717 -1.697 1.00 14.15 C ATOM 69 CG2 VAL A 14 -5.247 7.194 -0.404 1.00 42.32 C ATOM 0 HA VAL A 14 -5.868 8.069 -2.974 1.00 4.35 H new ATOM 0 HB VAL A 14 -5.797 5.860 -1.970 1.00 74.35 H new ATOM 0 HG11 VAL A 14 -3.764 4.973 -0.903 1.00 14.15 H new ATOM 0 HG12 VAL A 14 -3.542 5.214 -2.653 1.00 14.15 H new ATOM 0 HG13 VAL A 14 -2.844 6.376 -1.499 1.00 14.15 H new ATOM 0 HG21 VAL A 14 -5.299 6.430 0.372 1.00 42.32 H new ATOM 0 HG22 VAL A 14 -4.445 7.894 -0.170 1.00 42.32 H new ATOM 0 HG23 VAL A 14 -6.195 7.730 -0.450 1.00 42.32 H new ATOM 79 N SER A 15 -4.329 9.874 -2.249 1.00 32.21 N ATOM 80 CA SER A 15 -3.448 10.973 -1.873 1.00 24.23 C ATOM 81 C SER A 15 -4.126 11.891 -0.861 1.00 2.24 C ATOM 82 O SER A 15 -5.306 12.215 -0.992 1.00 51.22 O ATOM 83 CB SER A 15 -3.039 11.773 -3.111 1.00 3.23 C ATOM 84 OG SER A 15 -4.101 12.596 -3.560 1.00 12.11 O ATOM 0 H SER A 15 -5.314 10.129 -2.322 1.00 32.21 H new ATOM 0 HA SER A 15 -2.556 10.549 -1.412 1.00 24.23 H new ATOM 0 HB2 SER A 15 -2.170 12.389 -2.879 1.00 3.23 H new ATOM 0 HB3 SER A 15 -2.742 11.090 -3.907 1.00 3.23 H new ATOM 0 HG SER A 15 -3.814 13.098 -4.351 1.00 12.11 H new ATOM 90 N VAL A 16 -3.370 12.308 0.151 1.00 60.54 N ATOM 91 CA VAL A 16 -3.896 13.189 1.186 1.00 50.54 C ATOM 92 C VAL A 16 -4.073 14.610 0.660 1.00 65.40 C ATOM 93 O VAL A 16 -3.122 15.229 0.183 1.00 23.45 O ATOM 94 CB VAL A 16 -2.973 13.221 2.418 1.00 11.14 C ATOM 95 CG1 VAL A 16 -1.560 13.618 2.018 1.00 74.11 C ATOM 96 CG2 VAL A 16 -3.524 14.170 3.472 1.00 50.54 C ATOM 0 H VAL A 16 -2.391 12.049 0.275 1.00 60.54 H new ATOM 0 HA VAL A 16 -4.867 12.789 1.479 1.00 50.54 H new ATOM 0 HB VAL A 16 -2.935 12.220 2.847 1.00 11.14 H new ATOM 0 HG11 VAL A 16 -0.923 13.635 2.902 1.00 74.11 H new ATOM 0 HG12 VAL A 16 -1.168 12.896 1.302 1.00 74.11 H new ATOM 0 HG13 VAL A 16 -1.575 14.608 1.563 1.00 74.11 H new ATOM 0 HG21 VAL A 16 -2.859 14.180 4.336 1.00 50.54 H new ATOM 0 HG22 VAL A 16 -3.594 15.175 3.056 1.00 50.54 H new ATOM 0 HG23 VAL A 16 -4.514 13.836 3.781 1.00 50.54 H new ATOM 106 N ALA A 17 -5.296 15.120 0.751 1.00 51.43 N ATOM 107 CA ALA A 17 -5.597 16.469 0.287 1.00 72.14 C ATOM 108 C ALA A 17 -4.912 17.515 1.159 1.00 14.50 C ATOM 109 O ALA A 17 -4.602 17.261 2.323 1.00 74.41 O ATOM 110 CB ALA A 17 -7.101 16.697 0.268 1.00 54.01 C ATOM 0 H ALA A 17 -6.095 14.620 1.142 1.00 51.43 H new ATOM 0 HA ALA A 17 -5.212 16.572 -0.728 1.00 72.14 H new ATOM 0 HB1 ALA A 17 -7.311 17.708 -0.080 1.00 54.01 H new ATOM 0 HB2 ALA A 17 -7.570 15.977 -0.403 1.00 54.01 H new ATOM 0 HB3 ALA A 17 -7.501 16.569 1.274 1.00 54.01 H new ATOM 116 N ASP A 18 -4.679 18.692 0.589 1.00 5.53 N ATOM 117 CA ASP A 18 -4.030 19.778 1.316 1.00 52.24 C ATOM 118 C ASP A 18 -4.821 20.142 2.568 1.00 2.05 C ATOM 119 O ASP A 18 -4.243 20.466 3.606 1.00 72.15 O ATOM 120 CB ASP A 18 -3.883 21.006 0.416 1.00 54.14 C ATOM 121 CG ASP A 18 -2.915 20.774 -0.728 1.00 34.52 C ATOM 122 OD1 ASP A 18 -1.691 20.842 -0.492 1.00 43.31 O ATOM 123 OD2 ASP A 18 -3.383 20.522 -1.858 1.00 65.20 O ATOM 0 H ASP A 18 -4.929 18.919 -0.373 1.00 5.53 H new ATOM 0 HA ASP A 18 -3.040 19.439 1.619 1.00 52.24 H new ATOM 0 HB2 ASP A 18 -4.859 21.276 0.013 1.00 54.14 H new ATOM 0 HB3 ASP A 18 -3.540 21.851 1.013 1.00 54.14 H new ATOM 128 N GLU A 19 -6.145 20.087 2.463 1.00 21.04 N ATOM 129 CA GLU A 19 -7.014 20.413 3.588 1.00 20.21 C ATOM 130 C GLU A 19 -6.708 19.521 4.788 1.00 13.01 C ATOM 131 O GLU A 19 -6.746 19.970 5.934 1.00 0.23 O ATOM 132 CB GLU A 19 -8.483 20.261 3.187 1.00 2.10 C ATOM 133 CG GLU A 19 -8.873 18.836 2.833 1.00 61.10 C ATOM 134 CD GLU A 19 -10.322 18.717 2.403 1.00 13.51 C ATOM 135 OE1 GLU A 19 -11.210 18.838 3.273 1.00 11.22 O ATOM 136 OE2 GLU A 19 -10.569 18.504 1.198 1.00 63.12 O ATOM 0 H GLU A 19 -6.639 19.820 1.611 1.00 21.04 H new ATOM 0 HA GLU A 19 -6.827 21.449 3.870 1.00 20.21 H new ATOM 0 HB2 GLU A 19 -9.112 20.608 4.007 1.00 2.10 H new ATOM 0 HB3 GLU A 19 -8.687 20.907 2.333 1.00 2.10 H new ATOM 0 HG2 GLU A 19 -8.229 18.476 2.031 1.00 61.10 H new ATOM 0 HG3 GLU A 19 -8.700 18.191 3.695 1.00 61.10 H new ATOM 143 N CYS A 20 -6.407 18.256 4.516 1.00 45.40 N ATOM 144 CA CYS A 20 -6.096 17.300 5.573 1.00 44.24 C ATOM 145 C CYS A 20 -4.765 17.638 6.237 1.00 63.42 C ATOM 146 O CYS A 20 -4.648 17.620 7.462 1.00 32.23 O ATOM 147 CB CYS A 20 -6.052 15.880 5.007 1.00 65.10 C ATOM 148 SG CYS A 20 -5.509 14.629 6.194 1.00 22.03 S ATOM 0 H CYS A 20 -6.372 17.869 3.573 1.00 45.40 H new ATOM 0 HA CYS A 20 -6.882 17.359 6.326 1.00 44.24 H new ATOM 0 HB2 CYS A 20 -7.045 15.614 4.644 1.00 65.10 H new ATOM 0 HB3 CYS A 20 -5.383 15.864 4.147 1.00 65.10 H new ATOM 0 HG CYS A 20 -5.706 13.444 5.697 1.00 22.03 H new ATOM 154 N VAL A 21 -3.762 17.943 5.419 1.00 10.55 N ATOM 155 CA VAL A 21 -2.439 18.284 5.927 1.00 5.43 C ATOM 156 C VAL A 21 -2.500 19.492 6.856 1.00 35.20 C ATOM 157 O VAL A 21 -2.007 19.449 7.984 1.00 70.45 O ATOM 158 CB VAL A 21 -1.457 18.584 4.779 1.00 63.31 C ATOM 159 CG1 VAL A 21 -0.044 18.756 5.315 1.00 1.55 C ATOM 160 CG2 VAL A 21 -1.508 17.480 3.734 1.00 65.43 C ATOM 0 H VAL A 21 -3.841 17.961 4.402 1.00 10.55 H new ATOM 0 HA VAL A 21 -2.082 17.418 6.485 1.00 5.43 H new ATOM 0 HB VAL A 21 -1.755 19.518 4.304 1.00 63.31 H new ATOM 0 HG11 VAL A 21 0.635 18.967 4.489 1.00 1.55 H new ATOM 0 HG12 VAL A 21 -0.022 19.584 6.024 1.00 1.55 H new ATOM 0 HG13 VAL A 21 0.269 17.840 5.817 1.00 1.55 H new ATOM 0 HG21 VAL A 21 -0.808 17.708 2.930 1.00 65.43 H new ATOM 0 HG22 VAL A 21 -1.235 16.530 4.194 1.00 65.43 H new ATOM 0 HG23 VAL A 21 -2.517 17.410 3.328 1.00 65.43 H new ATOM 170 N THR A 22 -3.111 20.571 6.375 1.00 20.44 N ATOM 171 CA THR A 22 -3.238 21.791 7.162 1.00 45.24 C ATOM 172 C THR A 22 -4.071 21.553 8.416 1.00 43.52 C ATOM 173 O THR A 22 -3.743 22.049 9.493 1.00 0.23 O ATOM 174 CB THR A 22 -3.880 22.925 6.340 1.00 65.22 C ATOM 175 OG1 THR A 22 -3.172 23.098 5.107 1.00 25.12 O ATOM 176 CG2 THR A 22 -3.874 24.230 7.121 1.00 22.13 C ATOM 0 H THR A 22 -3.525 20.624 5.444 1.00 20.44 H new ATOM 0 HA THR A 22 -2.230 22.087 7.451 1.00 45.24 H new ATOM 0 HB THR A 22 -4.914 22.651 6.130 1.00 65.22 H new ATOM 0 HG1 THR A 22 -3.396 22.366 4.496 1.00 25.12 H new ATOM 0 HG21 THR A 22 -4.332 25.016 6.520 1.00 22.13 H new ATOM 0 HG22 THR A 22 -4.438 24.104 8.045 1.00 22.13 H new ATOM 0 HG23 THR A 22 -2.847 24.507 7.358 1.00 22.13 H new ATOM 184 N ALA A 23 -5.149 20.791 8.268 1.00 15.32 N ATOM 185 CA ALA A 23 -6.028 20.486 9.390 1.00 31.33 C ATOM 186 C ALA A 23 -5.262 19.802 10.518 1.00 44.15 C ATOM 187 O ALA A 23 -5.435 20.134 11.691 1.00 55.21 O ATOM 188 CB ALA A 23 -7.186 19.612 8.931 1.00 30.12 C ATOM 0 H ALA A 23 -5.435 20.374 7.382 1.00 15.32 H new ATOM 0 HA ALA A 23 -6.426 21.426 9.773 1.00 31.33 H new ATOM 0 HB1 ALA A 23 -7.834 19.392 9.779 1.00 30.12 H new ATOM 0 HB2 ALA A 23 -7.756 20.137 8.165 1.00 30.12 H new ATOM 0 HB3 ALA A 23 -6.798 18.680 8.520 1.00 30.12 H new ATOM 194 N LEU A 24 -4.414 18.846 10.155 1.00 61.20 N ATOM 195 CA LEU A 24 -3.620 18.114 11.137 1.00 54.34 C ATOM 196 C LEU A 24 -2.558 19.015 11.759 1.00 52.14 C ATOM 197 O LEU A 24 -2.322 18.971 12.965 1.00 12.11 O ATOM 198 CB LEU A 24 -2.957 16.901 10.483 1.00 32.41 C ATOM 199 CG LEU A 24 -3.904 15.848 9.906 1.00 73.02 C ATOM 200 CD1 LEU A 24 -3.181 14.981 8.887 1.00 31.43 C ATOM 201 CD2 LEU A 24 -4.491 14.991 11.018 1.00 1.01 C ATOM 0 H LEU A 24 -4.258 18.559 9.189 1.00 61.20 H new ATOM 0 HA LEU A 24 -4.289 17.773 11.927 1.00 54.34 H new ATOM 0 HB2 LEU A 24 -2.308 17.255 9.682 1.00 32.41 H new ATOM 0 HB3 LEU A 24 -2.317 16.419 11.222 1.00 32.41 H new ATOM 0 HG LEU A 24 -4.722 16.361 9.401 1.00 73.02 H new ATOM 0 HD11 LEU A 24 -3.871 14.238 8.487 1.00 31.43 H new ATOM 0 HD12 LEU A 24 -2.811 15.606 8.075 1.00 31.43 H new ATOM 0 HD13 LEU A 24 -2.343 14.477 9.368 1.00 31.43 H new ATOM 0 HD21 LEU A 24 -5.162 14.247 10.588 1.00 1.01 H new ATOM 0 HD22 LEU A 24 -3.686 14.487 11.553 1.00 1.01 H new ATOM 0 HD23 LEU A 24 -5.046 15.624 11.711 1.00 1.01 H new ATOM 213 N ASN A 25 -1.922 19.833 10.926 1.00 20.12 N ATOM 214 CA ASN A 25 -0.886 20.746 11.395 1.00 62.12 C ATOM 215 C ASN A 25 -1.425 21.666 12.486 1.00 44.43 C ATOM 216 O ASN A 25 -0.785 21.861 13.520 1.00 53.34 O ATOM 217 CB ASN A 25 -0.346 21.578 10.230 1.00 4.43 C ATOM 218 CG ASN A 25 0.403 22.811 10.699 1.00 24.21 C ATOM 219 OD1 ASN A 25 -0.203 23.799 11.114 1.00 22.21 O ATOM 220 ND2 ASN A 25 1.729 22.758 10.635 1.00 73.24 N ATOM 0 H ASN A 25 -2.106 19.882 9.924 1.00 20.12 H new ATOM 0 HA ASN A 25 -0.075 20.151 11.815 1.00 62.12 H new ATOM 0 HB2 ASN A 25 0.318 20.962 9.624 1.00 4.43 H new ATOM 0 HB3 ASN A 25 -1.174 21.881 9.589 1.00 4.43 H new ATOM 0 HD21 ASN A 25 2.286 23.557 10.937 1.00 73.24 H new ATOM 0 HD22 ASN A 25 2.189 21.918 10.284 1.00 73.24 H new ATOM 227 N ASP A 26 -2.604 22.229 12.248 1.00 52.13 N ATOM 228 CA ASP A 26 -3.231 23.128 13.210 1.00 23.12 C ATOM 229 C ASP A 26 -3.732 22.357 14.427 1.00 34.21 C ATOM 230 O ASP A 26 -3.592 22.810 15.564 1.00 65.31 O ATOM 231 CB ASP A 26 -4.389 23.883 12.556 1.00 21.12 C ATOM 232 CG ASP A 26 -3.984 24.550 11.256 1.00 14.45 C ATOM 233 OD1 ASP A 26 -2.802 24.930 11.128 1.00 10.41 O ATOM 234 OD2 ASP A 26 -4.851 24.694 10.368 1.00 65.41 O ATOM 0 H ASP A 26 -3.145 22.079 11.397 1.00 52.13 H new ATOM 0 HA ASP A 26 -2.481 23.846 13.541 1.00 23.12 H new ATOM 0 HB2 ASP A 26 -5.209 23.191 12.366 1.00 21.12 H new ATOM 0 HB3 ASP A 26 -4.763 24.638 13.247 1.00 21.12 H new ATOM 239 N LEU A 27 -4.319 21.191 14.181 1.00 32.33 N ATOM 240 CA LEU A 27 -4.843 20.356 15.257 1.00 54.21 C ATOM 241 C LEU A 27 -3.757 20.042 16.281 1.00 74.43 C ATOM 242 O LEU A 27 -4.027 19.953 17.479 1.00 61.33 O ATOM 243 CB LEU A 27 -5.416 19.057 14.688 1.00 22.30 C ATOM 244 CG LEU A 27 -5.877 18.021 15.714 1.00 64.52 C ATOM 245 CD1 LEU A 27 -7.393 18.027 15.835 1.00 64.44 C ATOM 246 CD2 LEU A 27 -5.376 16.635 15.334 1.00 24.31 C ATOM 0 H LEU A 27 -4.444 20.802 13.246 1.00 32.33 H new ATOM 0 HA LEU A 27 -5.639 20.908 15.757 1.00 54.21 H new ATOM 0 HB2 LEU A 27 -6.262 19.306 14.048 1.00 22.30 H new ATOM 0 HB3 LEU A 27 -4.659 18.597 14.052 1.00 22.30 H new ATOM 0 HG LEU A 27 -5.455 18.285 16.684 1.00 64.52 H new ATOM 0 HD11 LEU A 27 -7.702 17.283 16.570 1.00 64.44 H new ATOM 0 HD12 LEU A 27 -7.729 19.014 16.154 1.00 64.44 H new ATOM 0 HD13 LEU A 27 -7.836 17.788 14.868 1.00 64.44 H new ATOM 0 HD21 LEU A 27 -5.713 15.910 16.075 1.00 24.31 H new ATOM 0 HD22 LEU A 27 -5.769 16.362 14.355 1.00 24.31 H new ATOM 0 HD23 LEU A 27 -4.287 16.639 15.300 1.00 24.31 H new ATOM 258 N ARG A 28 -2.529 19.876 15.801 1.00 51.31 N ATOM 259 CA ARG A 28 -1.402 19.573 16.674 1.00 30.24 C ATOM 260 C ARG A 28 -1.160 20.709 17.664 1.00 44.14 C ATOM 261 O ARG A 28 -0.599 20.500 18.740 1.00 11.21 O ATOM 262 CB ARG A 28 -0.140 19.325 15.846 1.00 2.14 C ATOM 263 CG ARG A 28 0.722 20.564 15.664 1.00 21.25 C ATOM 264 CD ARG A 28 1.583 20.465 14.415 1.00 73.04 C ATOM 265 NE ARG A 28 2.861 19.810 14.680 1.00 34.05 N ATOM 266 CZ ARG A 28 3.889 19.837 13.840 1.00 1.02 C ATOM 267 NH1 ARG A 28 3.790 20.484 12.687 1.00 64.30 N ATOM 268 NH2 ARG A 28 5.020 19.217 14.153 1.00 34.22 N ATOM 0 H ARG A 28 -2.289 19.946 14.812 1.00 51.31 H new ATOM 0 HA ARG A 28 -1.642 18.670 17.236 1.00 30.24 H new ATOM 0 HB2 ARG A 28 0.453 18.547 16.327 1.00 2.14 H new ATOM 0 HB3 ARG A 28 -0.428 18.946 14.866 1.00 2.14 H new ATOM 0 HG2 ARG A 28 0.084 21.446 15.599 1.00 21.25 H new ATOM 0 HG3 ARG A 28 1.360 20.696 16.538 1.00 21.25 H new ATOM 0 HD2 ARG A 28 1.044 19.910 13.647 1.00 73.04 H new ATOM 0 HD3 ARG A 28 1.763 21.464 14.019 1.00 73.04 H new ATOM 0 HE ARG A 28 2.970 19.304 15.559 1.00 34.05 H new ATOM 0 HH11 ARG A 28 2.923 20.963 12.444 1.00 64.30 H new ATOM 0 HH12 ARG A 28 4.581 20.503 12.043 1.00 64.30 H new ATOM 0 HH21 ARG A 28 5.100 18.719 15.040 1.00 34.22 H new ATOM 0 HH22 ARG A 28 5.809 19.238 13.507 1.00 34.22 H new ATOM 282 N HIS A 29 -1.585 21.912 17.291 1.00 41.10 N ATOM 283 CA HIS A 29 -1.414 23.082 18.145 1.00 31.14 C ATOM 284 C HIS A 29 -2.698 23.387 18.912 1.00 65.11 C ATOM 285 O HIS A 29 -2.890 24.499 19.404 1.00 20.34 O ATOM 286 CB HIS A 29 -1.005 24.295 17.309 1.00 31.13 C ATOM 287 CG HIS A 29 0.223 24.986 17.817 1.00 32.03 C ATOM 288 ND1 HIS A 29 1.470 24.813 17.256 1.00 24.21 N ATOM 289 CD2 HIS A 29 0.389 25.857 18.840 1.00 64.01 C ATOM 290 CE1 HIS A 29 2.352 25.546 17.913 1.00 54.04 C ATOM 291 NE2 HIS A 29 1.721 26.190 18.878 1.00 21.24 N ATOM 0 H HIS A 29 -2.050 22.102 16.403 1.00 41.10 H new ATOM 0 HA HIS A 29 -0.625 22.864 18.864 1.00 31.14 H new ATOM 0 HB2 HIS A 29 -0.833 23.976 16.281 1.00 31.13 H new ATOM 0 HB3 HIS A 29 -1.830 25.007 17.289 1.00 31.13 H new ATOM 0 HD2 HIS A 29 -0.382 26.222 19.503 1.00 64.01 H new ATOM 0 HE1 HIS A 29 3.408 25.608 17.697 1.00 54.04 H new ATOM 0 HE2 HIS A 29 2.153 26.831 19.544 1.00 21.24 H new ATOM 299 N LYS A 30 -3.574 22.393 19.008 1.00 23.44 N ATOM 300 CA LYS A 30 -4.839 22.553 19.715 1.00 40.10 C ATOM 301 C LYS A 30 -5.699 23.626 19.054 1.00 20.31 C ATOM 302 O LYS A 30 -6.249 24.497 19.727 1.00 12.35 O ATOM 303 CB LYS A 30 -4.586 22.918 21.180 1.00 72.14 C ATOM 304 CG LYS A 30 -3.583 22.009 21.868 1.00 1.13 C ATOM 305 CD LYS A 30 -3.288 22.475 23.284 1.00 11.51 C ATOM 306 CE LYS A 30 -4.098 21.695 24.308 1.00 25.40 C ATOM 307 NZ LYS A 30 -4.360 22.496 25.535 1.00 34.03 N ATOM 0 H LYS A 30 -3.431 21.467 18.605 1.00 23.44 H new ATOM 0 HA LYS A 30 -5.374 21.604 19.671 1.00 40.10 H new ATOM 0 HB2 LYS A 30 -4.228 23.946 21.233 1.00 72.14 H new ATOM 0 HB3 LYS A 30 -5.530 22.881 21.723 1.00 72.14 H new ATOM 0 HG2 LYS A 30 -3.971 20.991 21.892 1.00 1.13 H new ATOM 0 HG3 LYS A 30 -2.658 21.984 21.292 1.00 1.13 H new ATOM 0 HD2 LYS A 30 -2.225 22.357 23.493 1.00 11.51 H new ATOM 0 HD3 LYS A 30 -3.514 23.538 23.373 1.00 11.51 H new ATOM 0 HE2 LYS A 30 -5.046 21.389 23.865 1.00 25.40 H new ATOM 0 HE3 LYS A 30 -3.563 20.784 24.576 1.00 25.40 H new ATOM 0 HZ1 LYS A 30 -4.914 21.929 26.208 1.00 34.03 H new ATOM 0 HZ2 LYS A 30 -3.456 22.766 25.973 1.00 34.03 H new ATOM 0 HZ3 LYS A 30 -4.893 23.353 25.283 1.00 34.03 H new ATOM 321 N LYS A 31 -5.812 23.555 17.732 1.00 10.31 N ATOM 322 CA LYS A 31 -6.607 24.518 16.979 1.00 14.14 C ATOM 323 C LYS A 31 -8.098 24.293 17.212 1.00 21.14 C ATOM 324 O LYS A 31 -8.892 25.232 17.164 1.00 52.04 O ATOM 325 CB LYS A 31 -6.292 24.414 15.485 1.00 34.25 C ATOM 326 CG LYS A 31 -6.870 23.173 14.827 1.00 14.01 C ATOM 327 CD LYS A 31 -8.186 23.474 14.128 1.00 4.02 C ATOM 328 CE LYS A 31 -7.962 24.180 12.800 1.00 41.23 C ATOM 329 NZ LYS A 31 -8.321 23.314 11.643 1.00 35.54 N ATOM 0 H LYS A 31 -5.363 22.840 17.160 1.00 10.31 H new ATOM 0 HA LYS A 31 -6.349 25.517 17.329 1.00 14.14 H new ATOM 0 HB2 LYS A 31 -6.679 25.298 14.978 1.00 34.25 H new ATOM 0 HB3 LYS A 31 -5.211 24.417 15.349 1.00 34.25 H new ATOM 0 HG2 LYS A 31 -6.156 22.777 14.105 1.00 14.01 H new ATOM 0 HG3 LYS A 31 -7.025 22.400 15.579 1.00 14.01 H new ATOM 0 HD2 LYS A 31 -8.731 22.545 13.960 1.00 4.02 H new ATOM 0 HD3 LYS A 31 -8.807 24.096 14.772 1.00 4.02 H new ATOM 0 HE2 LYS A 31 -8.557 25.092 12.769 1.00 41.23 H new ATOM 0 HE3 LYS A 31 -6.917 24.479 12.719 1.00 41.23 H new ATOM 0 HZ1 LYS A 31 -8.154 23.832 10.757 1.00 35.54 H new ATOM 0 HZ2 LYS A 31 -7.735 22.455 11.658 1.00 35.54 H new ATOM 0 HZ3 LYS A 31 -9.325 23.050 11.706 1.00 35.54 H new ATOM 343 N SER A 32 -8.470 23.043 17.467 1.00 73.41 N ATOM 344 CA SER A 32 -9.866 22.694 17.705 1.00 10.23 C ATOM 345 C SER A 32 -9.979 21.595 18.757 1.00 75.30 C ATOM 346 O SER A 32 -10.283 21.862 19.920 1.00 60.22 O ATOM 347 CB SER A 32 -10.530 22.241 16.404 1.00 51.13 C ATOM 348 OG SER A 32 -11.454 23.210 15.938 1.00 20.45 O ATOM 0 H SER A 32 -7.824 22.255 17.514 1.00 73.41 H new ATOM 0 HA SER A 32 -10.379 23.582 18.075 1.00 10.23 H new ATOM 0 HB2 SER A 32 -9.768 22.066 15.645 1.00 51.13 H new ATOM 0 HB3 SER A 32 -11.043 21.293 16.565 1.00 51.13 H new ATOM 0 HG SER A 32 -11.863 22.897 15.104 1.00 20.45 H new ATOM 354 N ARG A 33 -9.733 20.357 18.339 1.00 15.31 N ATOM 355 CA ARG A 33 -9.809 19.216 19.243 1.00 0.35 C ATOM 356 C ARG A 33 -9.502 17.916 18.506 1.00 51.45 C ATOM 357 O ARG A 33 -8.442 17.319 18.694 1.00 51.11 O ATOM 358 CB ARG A 33 -11.196 19.137 19.884 1.00 71.34 C ATOM 359 CG ARG A 33 -11.212 19.525 21.353 1.00 51.11 C ATOM 360 CD ARG A 33 -11.176 18.300 22.253 1.00 2.34 C ATOM 361 NE ARG A 33 -11.146 18.662 23.668 1.00 22.31 N ATOM 362 CZ ARG A 33 -11.201 17.774 24.655 1.00 62.13 C ATOM 363 NH1 ARG A 33 -11.288 16.479 24.382 1.00 44.30 N ATOM 364 NH2 ARG A 33 -11.168 18.181 25.917 1.00 34.43 N ATOM 0 H ARG A 33 -9.479 20.119 17.380 1.00 15.31 H new ATOM 0 HA ARG A 33 -9.062 19.354 20.025 1.00 0.35 H new ATOM 0 HB2 ARG A 33 -11.877 19.789 19.337 1.00 71.34 H new ATOM 0 HB3 ARG A 33 -11.577 18.121 19.781 1.00 71.34 H new ATOM 0 HG2 ARG A 33 -10.356 20.163 21.571 1.00 51.11 H new ATOM 0 HG3 ARG A 33 -12.107 20.109 21.567 1.00 51.11 H new ATOM 0 HD2 ARG A 33 -12.050 17.679 22.056 1.00 2.34 H new ATOM 0 HD3 ARG A 33 -10.298 17.700 22.014 1.00 2.34 H new ATOM 0 HE ARG A 33 -11.079 19.650 23.912 1.00 22.31 H new ATOM 0 HH11 ARG A 33 -11.313 16.163 23.413 1.00 44.30 H new ATOM 0 HH12 ARG A 33 -11.330 15.799 25.141 1.00 44.30 H new ATOM 0 HH21 ARG A 33 -11.100 19.176 26.130 1.00 34.43 H new ATOM 0 HH22 ARG A 33 -11.210 17.499 26.674 1.00 34.43 H new ATOM 378 N TYR A 34 -10.436 17.484 17.666 1.00 14.31 N ATOM 379 CA TYR A 34 -10.267 16.254 16.902 1.00 35.11 C ATOM 380 C TYR A 34 -10.691 16.452 15.450 1.00 62.02 C ATOM 381 O TYR A 34 -11.671 17.140 15.165 1.00 50.12 O ATOM 382 CB TYR A 34 -11.081 15.122 17.532 1.00 24.12 C ATOM 383 CG TYR A 34 -12.229 15.605 18.388 1.00 12.35 C ATOM 384 CD1 TYR A 34 -13.251 16.373 17.845 1.00 15.53 C ATOM 385 CD2 TYR A 34 -12.292 15.293 19.741 1.00 75.31 C ATOM 386 CE1 TYR A 34 -14.302 16.818 18.624 1.00 32.22 C ATOM 387 CE2 TYR A 34 -13.340 15.732 20.527 1.00 32.52 C ATOM 388 CZ TYR A 34 -14.342 16.494 19.964 1.00 13.14 C ATOM 389 OH TYR A 34 -15.388 16.934 20.743 1.00 30.34 O ATOM 0 H TYR A 34 -11.318 17.968 17.497 1.00 14.31 H new ATOM 0 HA TYR A 34 -9.210 15.987 16.920 1.00 35.11 H new ATOM 0 HB2 TYR A 34 -11.473 14.484 16.740 1.00 24.12 H new ATOM 0 HB3 TYR A 34 -10.420 14.505 18.141 1.00 24.12 H new ATOM 0 HD1 TYR A 34 -13.224 16.627 16.796 1.00 15.53 H new ATOM 0 HD2 TYR A 34 -11.508 14.697 20.185 1.00 75.31 H new ATOM 0 HE1 TYR A 34 -15.088 17.416 18.186 1.00 32.22 H new ATOM 0 HE2 TYR A 34 -13.374 15.480 21.577 1.00 32.52 H new ATOM 0 HH TYR A 34 -16.045 16.214 20.845 1.00 30.34 H new ATOM 399 N VAL A 35 -9.944 15.843 14.534 1.00 32.53 N ATOM 400 CA VAL A 35 -10.242 15.949 13.111 1.00 45.11 C ATOM 401 C VAL A 35 -10.329 14.572 12.463 1.00 22.10 C ATOM 402 O VAL A 35 -9.357 13.816 12.456 1.00 70.43 O ATOM 403 CB VAL A 35 -9.176 16.783 12.376 1.00 43.52 C ATOM 404 CG1 VAL A 35 -9.277 18.248 12.772 1.00 13.52 C ATOM 405 CG2 VAL A 35 -7.784 16.240 12.662 1.00 2.42 C ATOM 0 H VAL A 35 -9.128 15.271 14.753 1.00 32.53 H new ATOM 0 HA VAL A 35 -11.207 16.449 13.026 1.00 45.11 H new ATOM 0 HB VAL A 35 -9.357 16.708 11.304 1.00 43.52 H new ATOM 0 HG11 VAL A 35 -8.516 18.821 12.243 1.00 13.52 H new ATOM 0 HG12 VAL A 35 -10.265 18.628 12.511 1.00 13.52 H new ATOM 0 HG13 VAL A 35 -9.123 18.346 13.847 1.00 13.52 H new ATOM 0 HG21 VAL A 35 -7.043 16.841 12.135 1.00 2.42 H new ATOM 0 HG22 VAL A 35 -7.590 16.283 13.734 1.00 2.42 H new ATOM 0 HG23 VAL A 35 -7.720 15.206 12.323 1.00 2.42 H new ATOM 415 N ILE A 36 -11.499 14.253 11.920 1.00 64.23 N ATOM 416 CA ILE A 36 -11.712 12.967 11.268 1.00 72.23 C ATOM 417 C ILE A 36 -11.818 13.128 9.755 1.00 45.20 C ATOM 418 O ILE A 36 -12.474 14.046 9.263 1.00 64.32 O ATOM 419 CB ILE A 36 -12.986 12.276 11.789 1.00 71.01 C ATOM 420 CG1 ILE A 36 -13.047 12.355 13.316 1.00 60.23 C ATOM 421 CG2 ILE A 36 -13.030 10.828 11.326 1.00 75.53 C ATOM 422 CD1 ILE A 36 -14.279 11.705 13.906 1.00 41.03 C ATOM 0 H ILE A 36 -12.313 14.867 11.919 1.00 64.23 H new ATOM 0 HA ILE A 36 -10.848 12.346 11.506 1.00 72.23 H new ATOM 0 HB ILE A 36 -13.855 12.794 11.382 1.00 71.01 H new ATOM 0 HG12 ILE A 36 -12.160 11.878 13.732 1.00 60.23 H new ATOM 0 HG13 ILE A 36 -13.018 13.402 13.619 1.00 60.23 H new ATOM 0 HG21 ILE A 36 -13.936 10.353 11.702 1.00 75.53 H new ATOM 0 HG22 ILE A 36 -13.028 10.794 10.237 1.00 75.53 H new ATOM 0 HG23 ILE A 36 -12.157 10.298 11.707 1.00 75.53 H new ATOM 0 HD11 ILE A 36 -14.255 11.799 14.992 1.00 41.03 H new ATOM 0 HD12 ILE A 36 -15.171 12.197 13.519 1.00 41.03 H new ATOM 0 HD13 ILE A 36 -14.300 10.650 13.633 1.00 41.03 H new ATOM 434 N MET A 37 -11.168 12.229 9.023 1.00 72.02 N ATOM 435 CA MET A 37 -11.192 12.270 7.565 1.00 24.13 C ATOM 436 C MET A 37 -11.406 10.875 6.986 1.00 50.44 C ATOM 437 O MET A 37 -11.105 9.871 7.631 1.00 30.12 O ATOM 438 CB MET A 37 -9.887 12.863 7.029 1.00 21.45 C ATOM 439 CG MET A 37 -8.644 12.131 7.510 1.00 34.23 C ATOM 440 SD MET A 37 -7.916 12.888 8.976 1.00 71.41 S ATOM 441 CE MET A 37 -6.461 11.867 9.196 1.00 20.14 C ATOM 0 H MET A 37 -10.619 11.464 9.415 1.00 72.02 H new ATOM 0 HA MET A 37 -12.024 12.904 7.257 1.00 24.13 H new ATOM 0 HB2 MET A 37 -9.910 12.846 5.939 1.00 21.45 H new ATOM 0 HB3 MET A 37 -9.822 13.909 7.330 1.00 21.45 H new ATOM 0 HG2 MET A 37 -8.900 11.095 7.730 1.00 34.23 H new ATOM 0 HG3 MET A 37 -7.905 12.114 6.709 1.00 34.23 H new ATOM 0 HE1 MET A 37 -6.551 11.300 10.123 1.00 20.14 H new ATOM 0 HE2 MET A 37 -6.370 11.178 8.356 1.00 20.14 H new ATOM 0 HE3 MET A 37 -5.575 12.501 9.243 1.00 20.14 H new ATOM 451 N HIS A 38 -11.928 10.821 5.764 1.00 33.24 N ATOM 452 CA HIS A 38 -12.183 9.549 5.098 1.00 64.51 C ATOM 453 C HIS A 38 -11.668 9.575 3.662 1.00 42.11 C ATOM 454 O HIS A 38 -11.373 10.640 3.118 1.00 62.31 O ATOM 455 CB HIS A 38 -13.678 9.232 5.110 1.00 55.51 C ATOM 456 CG HIS A 38 -14.467 10.028 4.116 1.00 42.14 C ATOM 457 ND1 HIS A 38 -15.390 9.463 3.261 1.00 20.35 N ATOM 458 CD2 HIS A 38 -14.467 11.354 3.843 1.00 30.11 C ATOM 459 CE1 HIS A 38 -15.923 10.406 2.505 1.00 4.05 C ATOM 460 NE2 HIS A 38 -15.380 11.563 2.839 1.00 41.11 N ATOM 0 H HIS A 38 -12.182 11.643 5.216 1.00 33.24 H new ATOM 0 HA HIS A 38 -11.650 8.769 5.643 1.00 64.51 H new ATOM 0 HB2 HIS A 38 -13.818 8.170 4.906 1.00 55.51 H new ATOM 0 HB3 HIS A 38 -14.073 9.419 6.109 1.00 55.51 H new ATOM 0 HD2 HIS A 38 -13.862 12.107 4.325 1.00 30.11 H new ATOM 0 HE1 HIS A 38 -16.674 10.257 1.744 1.00 4.05 H new ATOM 0 HE2 HIS A 38 -15.603 12.465 2.419 1.00 41.11 H new ATOM 468 N ILE A 39 -11.562 8.398 3.055 1.00 62.03 N ATOM 469 CA ILE A 39 -11.083 8.287 1.682 1.00 10.24 C ATOM 470 C ILE A 39 -12.222 8.473 0.686 1.00 73.00 C ATOM 471 O ILE A 39 -13.243 7.788 0.758 1.00 24.03 O ATOM 472 CB ILE A 39 -10.411 6.925 1.429 1.00 72.22 C ATOM 473 CG1 ILE A 39 -9.425 6.601 2.553 1.00 63.03 C ATOM 474 CG2 ILE A 39 -9.706 6.925 0.081 1.00 65.10 C ATOM 475 CD1 ILE A 39 -8.694 5.291 2.357 1.00 74.22 C ATOM 0 H ILE A 39 -11.801 7.508 3.492 1.00 62.03 H new ATOM 0 HA ILE A 39 -10.347 9.078 1.539 1.00 10.24 H new ATOM 0 HB ILE A 39 -11.181 6.154 1.414 1.00 72.22 H new ATOM 0 HG12 ILE A 39 -8.695 7.407 2.629 1.00 63.03 H new ATOM 0 HG13 ILE A 39 -9.964 6.569 3.500 1.00 63.03 H new ATOM 0 HG21 ILE A 39 -9.236 5.956 -0.084 1.00 65.10 H new ATOM 0 HG22 ILE A 39 -10.432 7.115 -0.709 1.00 65.10 H new ATOM 0 HG23 ILE A 39 -8.944 7.705 0.069 1.00 65.10 H new ATOM 0 HD11 ILE A 39 -8.012 5.126 3.191 1.00 74.22 H new ATOM 0 HD12 ILE A 39 -9.415 4.475 2.311 1.00 74.22 H new ATOM 0 HD13 ILE A 39 -8.127 5.326 1.427 1.00 74.22 H new ATOM 487 N VAL A 40 -12.040 9.403 -0.246 1.00 14.41 N ATOM 488 CA VAL A 40 -13.052 9.678 -1.260 1.00 24.22 C ATOM 489 C VAL A 40 -12.602 9.186 -2.631 1.00 51.42 C ATOM 490 O VAL A 40 -11.473 9.439 -3.053 1.00 75.13 O ATOM 491 CB VAL A 40 -13.368 11.183 -1.344 1.00 62.22 C ATOM 492 CG1 VAL A 40 -14.373 11.456 -2.453 1.00 4.10 C ATOM 493 CG2 VAL A 40 -13.884 11.694 -0.008 1.00 10.13 C ATOM 0 H VAL A 40 -11.201 9.979 -0.320 1.00 14.41 H new ATOM 0 HA VAL A 40 -13.953 9.142 -0.962 1.00 24.22 H new ATOM 0 HB VAL A 40 -12.448 11.718 -1.580 1.00 62.22 H new ATOM 0 HG11 VAL A 40 -14.584 12.524 -2.498 1.00 4.10 H new ATOM 0 HG12 VAL A 40 -13.960 11.128 -3.407 1.00 4.10 H new ATOM 0 HG13 VAL A 40 -15.295 10.912 -2.250 1.00 4.10 H new ATOM 0 HG21 VAL A 40 -14.102 12.759 -0.086 1.00 10.13 H new ATOM 0 HG22 VAL A 40 -14.793 11.156 0.261 1.00 10.13 H new ATOM 0 HG23 VAL A 40 -13.127 11.534 0.760 1.00 10.13 H new ATOM 503 N ASP A 41 -13.493 8.484 -3.323 1.00 25.23 N ATOM 504 CA ASP A 41 -13.189 7.958 -4.648 1.00 64.44 C ATOM 505 C ASP A 41 -11.876 7.181 -4.637 1.00 22.32 C ATOM 506 O ASP A 41 -11.132 7.188 -5.617 1.00 24.42 O ATOM 507 CB ASP A 41 -13.113 9.096 -5.667 1.00 70.22 C ATOM 508 CG ASP A 41 -14.483 9.557 -6.122 1.00 55.53 C ATOM 509 OD1 ASP A 41 -15.357 9.769 -5.255 1.00 31.51 O ATOM 510 OD2 ASP A 41 -14.682 9.709 -7.346 1.00 32.53 O ATOM 0 H ASP A 41 -14.431 8.266 -2.988 1.00 25.23 H new ATOM 0 HA ASP A 41 -13.991 7.277 -4.934 1.00 64.44 H new ATOM 0 HB2 ASP A 41 -12.577 9.937 -5.228 1.00 70.22 H new ATOM 0 HB3 ASP A 41 -12.537 8.767 -6.532 1.00 70.22 H new ATOM 515 N GLN A 42 -11.599 6.513 -3.521 1.00 42.42 N ATOM 516 CA GLN A 42 -10.375 5.733 -3.382 1.00 42.32 C ATOM 517 C GLN A 42 -9.251 6.328 -4.225 1.00 14.53 C ATOM 518 O GLN A 42 -8.644 5.640 -5.045 1.00 21.32 O ATOM 519 CB GLN A 42 -10.621 4.281 -3.793 1.00 34.53 C ATOM 520 CG GLN A 42 -11.058 4.123 -5.240 1.00 51.13 C ATOM 521 CD GLN A 42 -12.534 3.805 -5.373 1.00 74.12 C ATOM 522 OE1 GLN A 42 -12.930 2.968 -6.185 1.00 53.44 O ATOM 523 NE2 GLN A 42 -13.358 4.472 -4.574 1.00 14.13 N ATOM 0 H GLN A 42 -12.205 6.497 -2.701 1.00 42.42 H new ATOM 0 HA GLN A 42 -10.074 5.761 -2.335 1.00 42.32 H new ATOM 0 HB2 GLN A 42 -9.708 3.708 -3.633 1.00 34.53 H new ATOM 0 HB3 GLN A 42 -11.384 3.853 -3.143 1.00 34.53 H new ATOM 0 HG2 GLN A 42 -10.838 5.041 -5.784 1.00 51.13 H new ATOM 0 HG3 GLN A 42 -10.476 3.328 -5.707 1.00 51.13 H new ATOM 0 HE21 GLN A 42 -12.987 5.157 -3.916 1.00 14.13 H new ATOM 0 HE22 GLN A 42 -14.362 4.299 -4.618 1.00 14.13 H new ATOM 532 N LYS A 43 -8.980 7.613 -4.018 1.00 21.55 N ATOM 533 CA LYS A 43 -7.929 8.302 -4.757 1.00 21.33 C ATOM 534 C LYS A 43 -7.568 9.623 -4.085 1.00 72.12 C ATOM 535 O LYS A 43 -6.400 10.009 -4.042 1.00 13.53 O ATOM 536 CB LYS A 43 -8.373 8.555 -6.199 1.00 14.20 C ATOM 537 CG LYS A 43 -7.382 9.376 -7.006 1.00 13.14 C ATOM 538 CD LYS A 43 -7.760 10.848 -7.022 1.00 72.23 C ATOM 539 CE LYS A 43 -6.530 11.738 -7.114 1.00 14.13 C ATOM 540 NZ LYS A 43 -6.863 13.091 -7.639 1.00 11.31 N ATOM 0 H LYS A 43 -9.474 8.198 -3.344 1.00 21.55 H new ATOM 0 HA LYS A 43 -7.045 7.664 -4.763 1.00 21.33 H new ATOM 0 HB2 LYS A 43 -8.528 7.597 -6.696 1.00 14.20 H new ATOM 0 HB3 LYS A 43 -9.334 9.068 -6.189 1.00 14.20 H new ATOM 0 HG2 LYS A 43 -6.384 9.260 -6.584 1.00 13.14 H new ATOM 0 HG3 LYS A 43 -7.342 8.998 -8.028 1.00 13.14 H new ATOM 0 HD2 LYS A 43 -8.418 11.047 -7.868 1.00 72.23 H new ATOM 0 HD3 LYS A 43 -8.320 11.091 -6.119 1.00 72.23 H new ATOM 0 HE2 LYS A 43 -6.076 11.833 -6.128 1.00 14.13 H new ATOM 0 HE3 LYS A 43 -5.790 11.269 -7.762 1.00 14.13 H new ATOM 0 HZ1 LYS A 43 -5.999 13.667 -7.687 1.00 11.31 H new ATOM 0 HZ2 LYS A 43 -7.273 13.003 -8.591 1.00 11.31 H new ATOM 0 HZ3 LYS A 43 -7.550 13.549 -7.007 1.00 11.31 H new ATOM 554 N SER A 44 -8.578 10.311 -3.562 1.00 30.44 N ATOM 555 CA SER A 44 -8.367 11.590 -2.894 1.00 30.30 C ATOM 556 C SER A 44 -9.025 11.599 -1.517 1.00 65.13 C ATOM 557 O SER A 44 -10.211 11.298 -1.382 1.00 62.41 O ATOM 558 CB SER A 44 -8.925 12.732 -3.746 1.00 23.43 C ATOM 559 OG SER A 44 -7.978 13.778 -3.878 1.00 55.22 O ATOM 0 H SER A 44 -9.550 10.004 -3.588 1.00 30.44 H new ATOM 0 HA SER A 44 -7.294 11.732 -2.766 1.00 30.30 H new ATOM 0 HB2 SER A 44 -9.196 12.356 -4.732 1.00 23.43 H new ATOM 0 HB3 SER A 44 -9.837 13.118 -3.291 1.00 23.43 H new ATOM 0 HG SER A 44 -8.357 14.495 -4.428 1.00 55.22 H new ATOM 565 N ILE A 45 -8.245 11.947 -0.499 1.00 33.22 N ATOM 566 CA ILE A 45 -8.751 11.997 0.867 1.00 32.52 C ATOM 567 C ILE A 45 -9.494 13.302 1.131 1.00 74.30 C ATOM 568 O ILE A 45 -8.997 14.384 0.823 1.00 50.22 O ATOM 569 CB ILE A 45 -7.613 11.850 1.895 1.00 53.23 C ATOM 570 CG1 ILE A 45 -6.720 10.661 1.533 1.00 14.44 C ATOM 571 CG2 ILE A 45 -8.183 11.685 3.296 1.00 42.32 C ATOM 572 CD1 ILE A 45 -7.468 9.350 1.442 1.00 32.33 C ATOM 0 H ILE A 45 -7.261 12.198 -0.594 1.00 33.22 H new ATOM 0 HA ILE A 45 -9.441 11.160 0.978 1.00 32.52 H new ATOM 0 HB ILE A 45 -7.006 12.755 1.876 1.00 53.23 H new ATOM 0 HG12 ILE A 45 -6.234 10.860 0.578 1.00 14.44 H new ATOM 0 HG13 ILE A 45 -5.931 10.569 2.279 1.00 14.44 H new ATOM 0 HG21 ILE A 45 -7.367 11.582 4.011 1.00 42.32 H new ATOM 0 HG22 ILE A 45 -8.781 12.560 3.551 1.00 42.32 H new ATOM 0 HG23 ILE A 45 -8.810 10.794 3.331 1.00 42.32 H new ATOM 0 HD11 ILE A 45 -6.773 8.552 1.182 1.00 32.33 H new ATOM 0 HD12 ILE A 45 -7.932 9.128 2.403 1.00 32.33 H new ATOM 0 HD13 ILE A 45 -8.239 9.424 0.675 1.00 32.33 H new ATOM 584 N ALA A 46 -10.688 13.191 1.705 1.00 21.01 N ATOM 585 CA ALA A 46 -11.498 14.362 2.014 1.00 14.33 C ATOM 586 C ALA A 46 -11.986 14.327 3.459 1.00 74.54 C ATOM 587 O ALA A 46 -11.913 13.293 4.124 1.00 54.22 O ATOM 588 CB ALA A 46 -12.679 14.455 1.059 1.00 63.34 C ATOM 0 H ALA A 46 -11.115 12.302 1.965 1.00 21.01 H new ATOM 0 HA ALA A 46 -10.874 15.247 1.890 1.00 14.33 H new ATOM 0 HB1 ALA A 46 -13.275 15.335 1.302 1.00 63.34 H new ATOM 0 HB2 ALA A 46 -12.314 14.536 0.035 1.00 63.34 H new ATOM 0 HB3 ALA A 46 -13.296 13.561 1.155 1.00 63.34 H new ATOM 594 N VAL A 47 -12.484 15.462 3.939 1.00 63.02 N ATOM 595 CA VAL A 47 -12.984 15.560 5.305 1.00 51.23 C ATOM 596 C VAL A 47 -14.353 14.902 5.437 1.00 11.40 C ATOM 597 O VAL A 47 -15.212 15.050 4.567 1.00 30.14 O ATOM 598 CB VAL A 47 -13.086 17.028 5.761 1.00 24.20 C ATOM 599 CG1 VAL A 47 -14.106 17.780 4.919 1.00 25.54 C ATOM 600 CG2 VAL A 47 -13.442 17.103 7.238 1.00 20.50 C ATOM 0 H VAL A 47 -12.552 16.327 3.402 1.00 63.02 H new ATOM 0 HA VAL A 47 -12.270 15.038 5.942 1.00 51.23 H new ATOM 0 HB VAL A 47 -12.115 17.502 5.620 1.00 24.20 H new ATOM 0 HG11 VAL A 47 -14.164 18.815 5.256 1.00 25.54 H new ATOM 0 HG12 VAL A 47 -13.803 17.756 3.872 1.00 25.54 H new ATOM 0 HG13 VAL A 47 -15.083 17.309 5.025 1.00 25.54 H new ATOM 0 HG21 VAL A 47 -13.510 18.147 7.543 1.00 20.50 H new ATOM 0 HG22 VAL A 47 -14.401 16.613 7.407 1.00 20.50 H new ATOM 0 HG23 VAL A 47 -12.671 16.603 7.824 1.00 20.50 H new ATOM 610 N LYS A 48 -14.551 14.176 6.532 1.00 63.34 N ATOM 611 CA LYS A 48 -15.816 13.495 6.781 1.00 51.42 C ATOM 612 C LYS A 48 -16.573 14.157 7.928 1.00 50.42 C ATOM 613 O LYS A 48 -17.718 14.582 7.767 1.00 2.12 O ATOM 614 CB LYS A 48 -15.571 12.019 7.102 1.00 3.53 C ATOM 615 CG LYS A 48 -16.828 11.169 7.052 1.00 30.21 C ATOM 616 CD LYS A 48 -17.469 11.201 5.675 1.00 44.23 C ATOM 617 CE LYS A 48 -17.801 9.801 5.181 1.00 3.33 C ATOM 618 NZ LYS A 48 -18.973 9.225 5.896 1.00 21.22 N ATOM 0 H LYS A 48 -13.851 14.044 7.262 1.00 63.34 H new ATOM 0 HA LYS A 48 -16.423 13.567 5.878 1.00 51.42 H new ATOM 0 HB2 LYS A 48 -14.843 11.618 6.396 1.00 3.53 H new ATOM 0 HB3 LYS A 48 -15.129 11.940 8.095 1.00 3.53 H new ATOM 0 HG2 LYS A 48 -16.583 10.140 7.316 1.00 30.21 H new ATOM 0 HG3 LYS A 48 -17.541 11.528 7.794 1.00 30.21 H new ATOM 0 HD2 LYS A 48 -18.379 11.801 5.710 1.00 44.23 H new ATOM 0 HD3 LYS A 48 -16.794 11.686 4.970 1.00 44.23 H new ATOM 0 HE2 LYS A 48 -18.008 9.833 4.111 1.00 3.33 H new ATOM 0 HE3 LYS A 48 -16.936 9.152 5.319 1.00 3.33 H new ATOM 0 HZ1 LYS A 48 -19.168 8.271 5.531 1.00 21.22 H new ATOM 0 HZ2 LYS A 48 -18.767 9.171 6.914 1.00 21.22 H new ATOM 0 HZ3 LYS A 48 -19.805 9.830 5.743 1.00 21.22 H new ATOM 632 N THR A 49 -15.926 14.244 9.086 1.00 32.31 N ATOM 633 CA THR A 49 -16.538 14.854 10.260 1.00 41.25 C ATOM 634 C THR A 49 -15.486 15.493 11.159 1.00 64.51 C ATOM 635 O THR A 49 -14.805 14.803 11.919 1.00 45.32 O ATOM 636 CB THR A 49 -17.338 13.822 11.077 1.00 40.50 C ATOM 637 OG1 THR A 49 -16.453 12.837 11.622 1.00 15.23 O ATOM 638 CG2 THR A 49 -18.389 13.144 10.212 1.00 52.14 C ATOM 0 H THR A 49 -14.978 13.899 9.236 1.00 32.31 H new ATOM 0 HA THR A 49 -17.218 15.625 9.897 1.00 41.25 H new ATOM 0 HB THR A 49 -17.842 14.346 11.889 1.00 40.50 H new ATOM 0 HG1 THR A 49 -15.720 13.282 12.095 1.00 15.23 H new ATOM 0 HG21 THR A 49 -18.941 12.420 10.811 1.00 52.14 H new ATOM 0 HG22 THR A 49 -19.078 13.893 9.823 1.00 52.14 H new ATOM 0 HG23 THR A 49 -17.902 12.632 9.382 1.00 52.14 H new ATOM 646 N ILE A 50 -15.358 16.812 11.068 1.00 33.04 N ATOM 647 CA ILE A 50 -14.390 17.543 11.876 1.00 64.30 C ATOM 648 C ILE A 50 -15.042 18.124 13.126 1.00 75.34 C ATOM 649 O ILE A 50 -16.163 18.629 13.076 1.00 73.54 O ATOM 650 CB ILE A 50 -13.735 18.684 11.075 1.00 70.53 C ATOM 651 CG1 ILE A 50 -12.489 19.195 11.800 1.00 44.33 C ATOM 652 CG2 ILE A 50 -14.729 19.815 10.855 1.00 23.53 C ATOM 653 CD1 ILE A 50 -11.727 20.247 11.023 1.00 21.52 C ATOM 0 H ILE A 50 -15.913 17.397 10.443 1.00 33.04 H new ATOM 0 HA ILE A 50 -13.622 16.828 12.170 1.00 64.30 H new ATOM 0 HB ILE A 50 -13.433 18.298 10.101 1.00 70.53 H new ATOM 0 HG12 ILE A 50 -12.784 19.609 12.764 1.00 44.33 H new ATOM 0 HG13 ILE A 50 -11.826 18.354 12.004 1.00 44.33 H new ATOM 0 HG21 ILE A 50 -14.251 20.614 10.288 1.00 23.53 H new ATOM 0 HG22 ILE A 50 -15.589 19.440 10.301 1.00 23.53 H new ATOM 0 HG23 ILE A 50 -15.059 20.202 11.819 1.00 23.53 H new ATOM 0 HD11 ILE A 50 -10.856 20.564 11.597 1.00 21.52 H new ATOM 0 HD12 ILE A 50 -11.402 19.831 10.070 1.00 21.52 H new ATOM 0 HD13 ILE A 50 -12.374 21.105 10.842 1.00 21.52 H new ATOM 665 N GLY A 51 -14.332 18.050 14.247 1.00 43.21 N ATOM 666 CA GLY A 51 -14.857 18.574 15.494 1.00 12.21 C ATOM 667 C GLY A 51 -14.184 19.867 15.909 1.00 0.31 C ATOM 668 O GLY A 51 -13.417 20.448 15.142 1.00 0.42 O ATOM 0 H GLY A 51 -13.402 17.636 14.314 1.00 43.21 H new ATOM 0 HA2 GLY A 51 -15.929 18.743 15.391 1.00 12.21 H new ATOM 0 HA3 GLY A 51 -14.726 17.831 16.281 1.00 12.21 H new ATOM 672 N GLU A 52 -14.473 20.319 17.125 1.00 2.35 N ATOM 673 CA GLU A 52 -13.891 21.554 17.639 1.00 21.30 C ATOM 674 C GLU A 52 -13.902 21.567 19.165 1.00 63.31 C ATOM 675 O GLU A 52 -12.875 21.804 19.801 1.00 22.55 O ATOM 676 CB GLU A 52 -14.655 22.766 17.102 1.00 32.24 C ATOM 677 CG GLU A 52 -16.117 22.479 16.801 1.00 45.13 C ATOM 678 CD GLU A 52 -17.003 23.693 17.001 1.00 3.13 C ATOM 679 OE1 GLU A 52 -16.891 24.647 16.203 1.00 61.13 O ATOM 680 OE2 GLU A 52 -17.807 23.690 17.956 1.00 33.21 O ATOM 0 H GLU A 52 -15.106 19.849 17.772 1.00 2.35 H new ATOM 0 HA GLU A 52 -12.856 21.606 17.300 1.00 21.30 H new ATOM 0 HB2 GLU A 52 -14.595 23.575 17.830 1.00 32.24 H new ATOM 0 HB3 GLU A 52 -14.168 23.118 16.193 1.00 32.24 H new ATOM 0 HG2 GLU A 52 -16.211 22.131 15.772 1.00 45.13 H new ATOM 0 HG3 GLU A 52 -16.465 21.670 17.444 1.00 45.13 H new ATOM 687 N ARG A 53 -15.070 21.311 19.745 1.00 61.03 N ATOM 688 CA ARG A 53 -15.216 21.295 21.195 1.00 24.22 C ATOM 689 C ARG A 53 -16.659 20.998 21.593 1.00 4.44 C ATOM 690 O ARG A 53 -17.149 21.496 22.606 1.00 4.30 O ATOM 691 CB ARG A 53 -14.777 22.635 21.788 1.00 2.01 C ATOM 692 CG ARG A 53 -13.520 22.543 22.639 1.00 74.54 C ATOM 693 CD ARG A 53 -12.994 23.921 23.006 1.00 30.15 C ATOM 694 NE ARG A 53 -14.053 24.798 23.498 1.00 12.10 N ATOM 695 CZ ARG A 53 -14.548 24.734 24.729 1.00 74.10 C ATOM 696 NH1 ARG A 53 -14.082 23.839 25.589 1.00 72.32 N ATOM 697 NH2 ARG A 53 -15.512 25.567 25.102 1.00 24.32 N ATOM 0 H ARG A 53 -15.929 21.112 19.232 1.00 61.03 H new ATOM 0 HA ARG A 53 -14.578 20.504 21.591 1.00 24.22 H new ATOM 0 HB2 ARG A 53 -14.605 23.343 20.977 1.00 2.01 H new ATOM 0 HB3 ARG A 53 -15.588 23.037 22.395 1.00 2.01 H new ATOM 0 HG2 ARG A 53 -13.735 21.980 23.548 1.00 74.54 H new ATOM 0 HG3 ARG A 53 -12.752 21.992 22.097 1.00 74.54 H new ATOM 0 HD2 ARG A 53 -12.221 23.823 23.768 1.00 30.15 H new ATOM 0 HD3 ARG A 53 -12.525 24.374 22.133 1.00 30.15 H new ATOM 0 HE ARG A 53 -14.433 25.498 22.861 1.00 12.10 H new ATOM 0 HH11 ARG A 53 -13.341 23.197 25.306 1.00 72.32 H new ATOM 0 HH12 ARG A 53 -14.464 23.792 26.534 1.00 72.32 H new ATOM 0 HH21 ARG A 53 -15.873 26.257 24.443 1.00 24.32 H new ATOM 0 HH22 ARG A 53 -15.892 25.517 26.047 1.00 24.32 H new ATOM 711 N GLY A 54 -17.334 20.184 20.788 1.00 31.12 N ATOM 712 CA GLY A 54 -18.714 19.836 21.073 1.00 61.12 C ATOM 713 C GLY A 54 -19.137 18.546 20.399 1.00 73.04 C ATOM 714 O GLY A 54 -20.328 18.301 20.204 1.00 5.30 O ATOM 0 H GLY A 54 -16.950 19.759 19.944 1.00 31.12 H new ATOM 0 HA2 GLY A 54 -18.846 19.740 22.151 1.00 61.12 H new ATOM 0 HA3 GLY A 54 -19.365 20.645 20.743 1.00 61.12 H new ATOM 718 N ALA A 55 -18.161 17.719 20.040 1.00 44.32 N ATOM 719 CA ALA A 55 -18.438 16.448 19.384 1.00 74.32 C ATOM 720 C ALA A 55 -18.449 15.302 20.390 1.00 71.21 C ATOM 721 O ALA A 55 -17.397 14.800 20.785 1.00 55.15 O ATOM 722 CB ALA A 55 -17.414 16.183 18.290 1.00 30.04 C ATOM 0 H ALA A 55 -17.170 17.907 20.193 1.00 44.32 H new ATOM 0 HA ALA A 55 -19.428 16.510 18.932 1.00 74.32 H new ATOM 0 HB1 ALA A 55 -17.634 15.230 17.809 1.00 30.04 H new ATOM 0 HB2 ALA A 55 -17.458 16.982 17.550 1.00 30.04 H new ATOM 0 HB3 ALA A 55 -16.416 16.147 18.727 1.00 30.04 H new ATOM 728 N ASN A 56 -19.645 14.893 20.801 1.00 20.04 N ATOM 729 CA ASN A 56 -19.792 13.806 21.763 1.00 10.52 C ATOM 730 C ASN A 56 -19.443 12.465 21.126 1.00 62.01 C ATOM 731 O ASN A 56 -19.258 12.371 19.912 1.00 14.22 O ATOM 732 CB ASN A 56 -21.222 13.769 22.307 1.00 63.22 C ATOM 733 CG ASN A 56 -21.358 14.502 23.627 1.00 24.34 C ATOM 734 OD1 ASN A 56 -20.718 15.530 23.848 1.00 24.11 O ATOM 735 ND2 ASN A 56 -22.194 13.974 24.513 1.00 14.13 N ATOM 0 H ASN A 56 -20.526 15.297 20.483 1.00 20.04 H new ATOM 0 HA ASN A 56 -19.102 13.987 22.587 1.00 10.52 H new ATOM 0 HB2 ASN A 56 -21.897 14.214 21.576 1.00 63.22 H new ATOM 0 HB3 ASN A 56 -21.532 12.732 22.437 1.00 63.22 H new ATOM 0 HD21 ASN A 56 -22.326 14.422 25.420 1.00 14.13 H new ATOM 0 HD22 ASN A 56 -22.704 13.120 24.287 1.00 14.13 H new ATOM 742 N PHE A 57 -19.354 11.429 21.953 1.00 71.51 N ATOM 743 CA PHE A 57 -19.027 10.092 21.471 1.00 62.30 C ATOM 744 C PHE A 57 -20.173 9.515 20.645 1.00 12.42 C ATOM 745 O PHE A 57 -19.951 8.774 19.688 1.00 73.12 O ATOM 746 CB PHE A 57 -18.714 9.165 22.647 1.00 35.45 C ATOM 747 CG PHE A 57 -19.896 8.909 23.539 1.00 22.20 C ATOM 748 CD1 PHE A 57 -20.155 9.734 24.621 1.00 32.24 C ATOM 749 CD2 PHE A 57 -20.747 7.843 23.295 1.00 64.31 C ATOM 750 CE1 PHE A 57 -21.242 9.501 25.444 1.00 43.43 C ATOM 751 CE2 PHE A 57 -21.835 7.606 24.113 1.00 23.44 C ATOM 752 CZ PHE A 57 -22.082 8.435 25.190 1.00 41.12 C ATOM 0 H PHE A 57 -19.504 11.489 22.960 1.00 71.51 H new ATOM 0 HA PHE A 57 -18.146 10.169 20.833 1.00 62.30 H new ATOM 0 HB2 PHE A 57 -18.347 8.214 22.262 1.00 35.45 H new ATOM 0 HB3 PHE A 57 -17.910 9.601 23.239 1.00 35.45 H new ATOM 0 HD1 PHE A 57 -19.501 10.569 24.824 1.00 32.24 H new ATOM 0 HD2 PHE A 57 -20.558 7.190 22.456 1.00 64.31 H new ATOM 0 HE1 PHE A 57 -21.433 10.152 26.284 1.00 43.43 H new ATOM 0 HE2 PHE A 57 -22.492 6.773 23.910 1.00 23.44 H new ATOM 0 HZ PHE A 57 -22.930 8.250 25.832 1.00 41.12 H new ATOM 762 N ASP A 58 -21.399 9.861 21.023 1.00 3.43 N ATOM 763 CA ASP A 58 -22.581 9.380 20.318 1.00 30.35 C ATOM 764 C ASP A 58 -22.556 9.812 18.856 1.00 44.51 C ATOM 765 O ASP A 58 -22.800 9.008 17.957 1.00 11.21 O ATOM 766 CB ASP A 58 -23.851 9.899 20.995 1.00 61.52 C ATOM 767 CG ASP A 58 -25.029 8.963 20.810 1.00 72.34 C ATOM 768 OD1 ASP A 58 -24.866 7.932 20.123 1.00 2.45 O ATOM 769 OD2 ASP A 58 -26.115 9.261 21.350 1.00 10.01 O ATOM 0 H ASP A 58 -21.600 10.473 21.814 1.00 3.43 H new ATOM 0 HA ASP A 58 -22.578 8.291 20.356 1.00 30.35 H new ATOM 0 HB2 ASP A 58 -23.662 10.035 22.060 1.00 61.52 H new ATOM 0 HB3 ASP A 58 -24.102 10.879 20.588 1.00 61.52 H new ATOM 774 N GLN A 59 -22.259 11.088 18.626 1.00 34.44 N ATOM 775 CA GLN A 59 -22.204 11.627 17.273 1.00 72.12 C ATOM 776 C GLN A 59 -21.022 11.047 16.504 1.00 43.33 C ATOM 777 O GLN A 59 -21.082 10.881 15.285 1.00 21.33 O ATOM 778 CB GLN A 59 -22.103 13.153 17.313 1.00 73.32 C ATOM 779 CG GLN A 59 -23.131 13.807 18.222 1.00 74.14 C ATOM 780 CD GLN A 59 -23.427 15.241 17.831 1.00 51.43 C ATOM 781 OE1 GLN A 59 -23.485 15.575 16.647 1.00 51.12 O ATOM 782 NE2 GLN A 59 -23.616 16.100 18.826 1.00 33.42 N ATOM 0 H GLN A 59 -22.053 11.766 19.359 1.00 34.44 H new ATOM 0 HA GLN A 59 -23.122 11.344 16.758 1.00 72.12 H new ATOM 0 HB2 GLN A 59 -21.104 13.434 17.647 1.00 73.32 H new ATOM 0 HB3 GLN A 59 -22.223 13.543 16.302 1.00 73.32 H new ATOM 0 HG2 GLN A 59 -24.055 13.229 18.195 1.00 74.14 H new ATOM 0 HG3 GLN A 59 -22.770 13.782 19.250 1.00 74.14 H new ATOM 0 HE21 GLN A 59 -23.559 15.781 19.793 1.00 33.42 H new ATOM 0 HE22 GLN A 59 -23.818 17.079 18.623 1.00 33.42 H new ATOM 791 N PHE A 60 -19.947 10.742 17.223 1.00 62.11 N ATOM 792 CA PHE A 60 -18.749 10.182 16.608 1.00 71.12 C ATOM 793 C PHE A 60 -19.030 8.797 16.031 1.00 14.51 C ATOM 794 O PHE A 60 -18.708 8.517 14.876 1.00 3.42 O ATOM 795 CB PHE A 60 -17.615 10.099 17.632 1.00 51.43 C ATOM 796 CG PHE A 60 -16.415 9.343 17.137 1.00 11.45 C ATOM 797 CD1 PHE A 60 -16.330 7.970 17.299 1.00 30.05 C ATOM 798 CD2 PHE A 60 -15.372 10.006 16.511 1.00 3.34 C ATOM 799 CE1 PHE A 60 -15.227 7.271 16.846 1.00 53.15 C ATOM 800 CE2 PHE A 60 -14.267 9.313 16.055 1.00 22.31 C ATOM 801 CZ PHE A 60 -14.194 7.944 16.223 1.00 21.34 C ATOM 0 H PHE A 60 -19.881 10.873 18.232 1.00 62.11 H new ATOM 0 HA PHE A 60 -18.447 10.841 15.794 1.00 71.12 H new ATOM 0 HB2 PHE A 60 -17.310 11.109 17.907 1.00 51.43 H new ATOM 0 HB3 PHE A 60 -17.988 9.620 18.537 1.00 51.43 H new ATOM 0 HD1 PHE A 60 -17.135 7.439 17.785 1.00 30.05 H new ATOM 0 HD2 PHE A 60 -15.423 11.077 16.378 1.00 3.34 H new ATOM 0 HE1 PHE A 60 -15.173 6.201 16.979 1.00 53.15 H new ATOM 0 HE2 PHE A 60 -13.461 9.841 15.568 1.00 22.31 H new ATOM 0 HZ PHE A 60 -13.331 7.401 15.868 1.00 21.34 H new ATOM 811 N ILE A 61 -19.633 7.936 16.844 1.00 52.15 N ATOM 812 CA ILE A 61 -19.958 6.582 16.415 1.00 74.54 C ATOM 813 C ILE A 61 -21.074 6.587 15.375 1.00 42.12 C ATOM 814 O ILE A 61 -21.071 5.782 14.444 1.00 15.02 O ATOM 815 CB ILE A 61 -20.385 5.701 17.604 1.00 13.52 C ATOM 816 CG1 ILE A 61 -20.691 4.279 17.131 1.00 53.14 C ATOM 817 CG2 ILE A 61 -21.595 6.305 18.302 1.00 30.12 C ATOM 818 CD1 ILE A 61 -19.901 3.216 17.861 1.00 34.13 C ATOM 0 H ILE A 61 -19.906 8.152 17.803 1.00 52.15 H new ATOM 0 HA ILE A 61 -19.053 6.167 15.972 1.00 74.54 H new ATOM 0 HB ILE A 61 -19.562 5.656 18.318 1.00 13.52 H new ATOM 0 HG12 ILE A 61 -21.755 4.083 17.261 1.00 53.14 H new ATOM 0 HG13 ILE A 61 -20.482 4.207 16.064 1.00 53.14 H new ATOM 0 HG21 ILE A 61 -21.885 5.672 19.140 1.00 30.12 H new ATOM 0 HG22 ILE A 61 -21.344 7.300 18.669 1.00 30.12 H new ATOM 0 HG23 ILE A 61 -22.423 6.377 17.597 1.00 30.12 H new ATOM 0 HD11 ILE A 61 -20.169 2.233 17.474 1.00 34.13 H new ATOM 0 HD12 ILE A 61 -18.835 3.387 17.710 1.00 34.13 H new ATOM 0 HD13 ILE A 61 -20.128 3.261 18.926 1.00 34.13 H new ATOM 830 N GLU A 62 -22.024 7.502 15.539 1.00 35.44 N ATOM 831 CA GLU A 62 -23.146 7.612 14.614 1.00 44.23 C ATOM 832 C GLU A 62 -22.664 8.009 13.221 1.00 72.20 C ATOM 833 O GLU A 62 -23.153 7.496 12.215 1.00 42.45 O ATOM 834 CB GLU A 62 -24.160 8.637 15.126 1.00 44.31 C ATOM 835 CG GLU A 62 -25.500 8.577 14.412 1.00 23.14 C ATOM 836 CD GLU A 62 -26.629 8.145 15.328 1.00 50.43 C ATOM 837 OE1 GLU A 62 -26.653 6.960 15.721 1.00 53.22 O ATOM 838 OE2 GLU A 62 -27.488 8.992 15.651 1.00 51.04 O ATOM 0 H GLU A 62 -22.039 8.177 16.303 1.00 35.44 H new ATOM 0 HA GLU A 62 -23.628 6.637 14.550 1.00 44.23 H new ATOM 0 HB2 GLU A 62 -24.319 8.477 16.192 1.00 44.31 H new ATOM 0 HB3 GLU A 62 -23.742 9.637 15.012 1.00 44.31 H new ATOM 0 HG2 GLU A 62 -25.730 9.558 13.995 1.00 23.14 H new ATOM 0 HG3 GLU A 62 -25.431 7.883 13.574 1.00 23.14 H new ATOM 845 N ALA A 63 -21.703 8.925 13.172 1.00 11.44 N ATOM 846 CA ALA A 63 -21.154 9.390 11.905 1.00 52.24 C ATOM 847 C ALA A 63 -20.266 8.326 11.268 1.00 53.51 C ATOM 848 O ALA A 63 -20.445 7.973 10.102 1.00 25.40 O ATOM 849 CB ALA A 63 -20.373 10.680 12.109 1.00 64.40 C ATOM 0 H ALA A 63 -21.288 9.360 13.996 1.00 11.44 H new ATOM 0 HA ALA A 63 -21.985 9.585 11.227 1.00 52.24 H new ATOM 0 HB1 ALA A 63 -19.969 11.015 11.154 1.00 64.40 H new ATOM 0 HB2 ALA A 63 -21.035 11.446 12.512 1.00 64.40 H new ATOM 0 HB3 ALA A 63 -19.555 10.503 12.807 1.00 64.40 H new ATOM 855 N ILE A 64 -19.310 7.821 12.040 1.00 50.23 N ATOM 856 CA ILE A 64 -18.395 6.798 11.550 1.00 30.42 C ATOM 857 C ILE A 64 -19.101 5.454 11.402 1.00 13.22 C ATOM 858 O ILE A 64 -20.011 5.132 12.166 1.00 14.32 O ATOM 859 CB ILE A 64 -17.186 6.628 12.488 1.00 5.45 C ATOM 860 CG1 ILE A 64 -16.125 5.740 11.834 1.00 13.13 C ATOM 861 CG2 ILE A 64 -17.627 6.042 13.821 1.00 21.20 C ATOM 862 CD1 ILE A 64 -14.804 5.734 12.571 1.00 31.30 C ATOM 0 H ILE A 64 -19.149 8.103 13.007 1.00 50.23 H new ATOM 0 HA ILE A 64 -18.043 7.131 10.574 1.00 30.42 H new ATOM 0 HB ILE A 64 -16.748 7.609 12.672 1.00 5.45 H new ATOM 0 HG12 ILE A 64 -16.503 4.719 11.775 1.00 13.13 H new ATOM 0 HG13 ILE A 64 -15.960 6.079 10.811 1.00 13.13 H new ATOM 0 HG21 ILE A 64 -16.761 5.928 14.473 1.00 21.20 H new ATOM 0 HG22 ILE A 64 -18.349 6.710 14.291 1.00 21.20 H new ATOM 0 HG23 ILE A 64 -18.087 5.068 13.656 1.00 21.20 H new ATOM 0 HD11 ILE A 64 -14.100 5.084 12.051 1.00 31.30 H new ATOM 0 HD12 ILE A 64 -14.403 6.747 12.608 1.00 31.30 H new ATOM 0 HD13 ILE A 64 -14.955 5.367 13.586 1.00 31.30 H new ATOM 874 N ASP A 65 -18.675 4.673 10.416 1.00 44.42 N ATOM 875 CA ASP A 65 -19.264 3.363 10.169 1.00 61.51 C ATOM 876 C ASP A 65 -18.180 2.305 9.989 1.00 23.51 C ATOM 877 O ASP A 65 -17.227 2.498 9.233 1.00 34.20 O ATOM 878 CB ASP A 65 -20.160 3.408 8.930 1.00 32.34 C ATOM 879 CG ASP A 65 -21.620 3.172 9.263 1.00 32.34 C ATOM 880 OD1 ASP A 65 -22.324 4.155 9.578 1.00 61.33 O ATOM 881 OD2 ASP A 65 -22.060 2.004 9.209 1.00 45.21 O ATOM 0 H ASP A 65 -17.923 4.925 9.774 1.00 44.42 H new ATOM 0 HA ASP A 65 -19.868 3.095 11.036 1.00 61.51 H new ATOM 0 HB2 ASP A 65 -20.053 4.377 8.443 1.00 32.34 H new ATOM 0 HB3 ASP A 65 -19.827 2.654 8.216 1.00 32.34 H new ATOM 886 N LYS A 66 -18.330 1.186 10.690 1.00 71.42 N ATOM 887 CA LYS A 66 -17.365 0.096 10.608 1.00 20.24 C ATOM 888 C LYS A 66 -17.387 -0.549 9.226 1.00 14.12 C ATOM 889 O LYS A 66 -18.114 -1.514 8.993 1.00 1.20 O ATOM 890 CB LYS A 66 -17.662 -0.957 11.679 1.00 51.13 C ATOM 891 CG LYS A 66 -19.112 -1.409 11.701 1.00 62.52 C ATOM 892 CD LYS A 66 -19.226 -2.903 11.955 1.00 21.23 C ATOM 893 CE LYS A 66 -19.768 -3.636 10.738 1.00 61.23 C ATOM 894 NZ LYS A 66 -21.215 -3.955 10.881 1.00 14.01 N ATOM 0 H LYS A 66 -19.111 1.010 11.322 1.00 71.42 H new ATOM 0 HA LYS A 66 -16.372 0.510 10.780 1.00 20.24 H new ATOM 0 HB2 LYS A 66 -17.022 -1.824 11.512 1.00 51.13 H new ATOM 0 HB3 LYS A 66 -17.401 -0.552 12.657 1.00 51.13 H new ATOM 0 HG2 LYS A 66 -19.652 -0.865 12.476 1.00 62.52 H new ATOM 0 HG3 LYS A 66 -19.585 -1.163 10.750 1.00 62.52 H new ATOM 0 HD2 LYS A 66 -18.247 -3.304 12.216 1.00 21.23 H new ATOM 0 HD3 LYS A 66 -19.881 -3.079 12.808 1.00 21.23 H new ATOM 0 HE2 LYS A 66 -19.617 -3.024 9.849 1.00 61.23 H new ATOM 0 HE3 LYS A 66 -19.206 -4.558 10.589 1.00 61.23 H new ATOM 0 HZ1 LYS A 66 -21.546 -4.454 10.031 1.00 14.01 H new ATOM 0 HZ2 LYS A 66 -21.356 -4.560 11.715 1.00 14.01 H new ATOM 0 HZ3 LYS A 66 -21.755 -3.074 10.997 1.00 14.01 H new ATOM 908 N ASN A 67 -16.586 -0.009 8.314 1.00 63.54 N ATOM 909 CA ASN A 67 -16.513 -0.533 6.954 1.00 34.44 C ATOM 910 C ASN A 67 -15.511 0.258 6.119 1.00 34.31 C ATOM 911 O ASN A 67 -14.410 -0.215 5.839 1.00 70.45 O ATOM 912 CB ASN A 67 -17.893 -0.488 6.294 1.00 21.31 C ATOM 913 CG ASN A 67 -18.496 -1.869 6.121 1.00 54.20 C ATOM 914 OD1 ASN A 67 -19.634 -2.116 6.522 1.00 24.15 O ATOM 915 ND2 ASN A 67 -17.735 -2.776 5.521 1.00 61.12 N ATOM 0 H ASN A 67 -15.978 0.791 8.491 1.00 63.54 H new ATOM 0 HA ASN A 67 -16.176 -1.568 7.007 1.00 34.44 H new ATOM 0 HB2 ASN A 67 -18.562 0.125 6.898 1.00 21.31 H new ATOM 0 HB3 ASN A 67 -17.811 -0.005 5.320 1.00 21.31 H new ATOM 0 HD21 ASN A 67 -18.087 -3.722 5.376 1.00 61.12 H new ATOM 0 HD22 ASN A 67 -16.798 -2.527 5.205 1.00 61.12 H new ATOM 922 N VAL A 68 -15.901 1.466 5.725 1.00 71.11 N ATOM 923 CA VAL A 68 -15.037 2.324 4.923 1.00 10.22 C ATOM 924 C VAL A 68 -13.855 2.832 5.741 1.00 21.33 C ATOM 925 O VAL A 68 -13.926 2.967 6.963 1.00 40.41 O ATOM 926 CB VAL A 68 -15.812 3.530 4.358 1.00 24.32 C ATOM 927 CG1 VAL A 68 -17.023 3.062 3.566 1.00 14.45 C ATOM 928 CG2 VAL A 68 -16.227 4.469 5.480 1.00 34.34 C ATOM 0 H VAL A 68 -16.809 1.873 5.948 1.00 71.11 H new ATOM 0 HA VAL A 68 -14.669 1.718 4.095 1.00 10.22 H new ATOM 0 HB VAL A 68 -15.156 4.078 3.682 1.00 24.32 H new ATOM 0 HG11 VAL A 68 -17.558 3.927 3.175 1.00 14.45 H new ATOM 0 HG12 VAL A 68 -16.695 2.433 2.738 1.00 14.45 H new ATOM 0 HG13 VAL A 68 -17.684 2.490 4.217 1.00 14.45 H new ATOM 0 HG21 VAL A 68 -16.773 5.315 5.063 1.00 34.34 H new ATOM 0 HG22 VAL A 68 -16.866 3.935 6.183 1.00 34.34 H new ATOM 0 HG23 VAL A 68 -15.339 4.830 5.999 1.00 34.34 H new ATOM 938 N PRO A 69 -12.740 3.120 5.054 1.00 40.23 N ATOM 939 CA PRO A 69 -11.520 3.619 5.696 1.00 34.23 C ATOM 940 C PRO A 69 -11.682 5.041 6.222 1.00 42.24 C ATOM 941 O PRO A 69 -12.408 5.849 5.641 1.00 64.15 O ATOM 942 CB PRO A 69 -10.484 3.579 4.570 1.00 14.01 C ATOM 943 CG PRO A 69 -11.283 3.683 3.317 1.00 71.32 C ATOM 944 CD PRO A 69 -12.584 2.982 3.596 1.00 52.41 C ATOM 0 HA PRO A 69 -11.245 3.024 6.567 1.00 34.23 H new ATOM 0 HB2 PRO A 69 -9.774 4.401 4.656 1.00 14.01 H new ATOM 0 HB3 PRO A 69 -9.907 2.655 4.596 1.00 14.01 H new ATOM 0 HG2 PRO A 69 -11.452 4.726 3.047 1.00 71.32 H new ATOM 0 HG3 PRO A 69 -10.760 3.218 2.481 1.00 71.32 H new ATOM 0 HD2 PRO A 69 -13.412 3.443 3.058 1.00 52.41 H new ATOM 0 HD3 PRO A 69 -12.550 1.936 3.293 1.00 52.41 H new ATOM 952 N CYS A 70 -11.001 5.341 7.322 1.00 35.03 N ATOM 953 CA CYS A 70 -11.070 6.667 7.926 1.00 30.02 C ATOM 954 C CYS A 70 -10.098 6.783 9.096 1.00 62.23 C ATOM 955 O CYS A 70 -9.826 5.803 9.790 1.00 71.33 O ATOM 956 CB CYS A 70 -12.494 6.961 8.400 1.00 50.40 C ATOM 957 SG CYS A 70 -13.241 5.628 9.366 1.00 73.35 S ATOM 0 H CYS A 70 -10.395 4.684 7.814 1.00 35.03 H new ATOM 0 HA CYS A 70 -10.788 7.399 7.169 1.00 30.02 H new ATOM 0 HB2 CYS A 70 -12.485 7.870 9.002 1.00 50.40 H new ATOM 0 HB3 CYS A 70 -13.121 7.160 7.531 1.00 50.40 H new ATOM 0 HG CYS A 70 -13.522 4.629 8.583 1.00 73.35 H new ATOM 963 N TYR A 71 -9.576 7.986 9.307 1.00 23.31 N ATOM 964 CA TYR A 71 -8.630 8.229 10.390 1.00 71.11 C ATOM 965 C TYR A 71 -9.061 9.427 11.231 1.00 71.22 C ATOM 966 O TYR A 71 -9.434 10.472 10.698 1.00 63.51 O ATOM 967 CB TYR A 71 -7.228 8.465 9.827 1.00 44.10 C ATOM 968 CG TYR A 71 -6.739 7.350 8.930 1.00 33.24 C ATOM 969 CD1 TYR A 71 -7.155 7.263 7.607 1.00 24.25 C ATOM 970 CD2 TYR A 71 -5.862 6.383 9.406 1.00 4.43 C ATOM 971 CE1 TYR A 71 -6.712 6.245 6.785 1.00 4.12 C ATOM 972 CE2 TYR A 71 -5.412 5.363 8.591 1.00 72.13 C ATOM 973 CZ TYR A 71 -5.840 5.298 7.281 1.00 34.22 C ATOM 974 OH TYR A 71 -5.396 4.283 6.465 1.00 44.22 O ATOM 0 H TYR A 71 -9.792 8.808 8.743 1.00 23.31 H new ATOM 0 HA TYR A 71 -8.614 7.346 11.029 1.00 71.11 H new ATOM 0 HB2 TYR A 71 -7.224 9.399 9.266 1.00 44.10 H new ATOM 0 HB3 TYR A 71 -6.529 8.587 10.655 1.00 44.10 H new ATOM 0 HD1 TYR A 71 -7.836 8.004 7.215 1.00 24.25 H new ATOM 0 HD2 TYR A 71 -5.526 6.430 10.431 1.00 4.43 H new ATOM 0 HE1 TYR A 71 -7.047 6.191 5.760 1.00 4.12 H new ATOM 0 HE2 TYR A 71 -4.729 4.621 8.977 1.00 72.13 H new ATOM 0 HH TYR A 71 -5.093 3.530 7.015 1.00 44.22 H new ATOM 984 N ALA A 72 -9.006 9.266 12.549 1.00 54.30 N ATOM 985 CA ALA A 72 -9.388 10.334 13.465 1.00 50.01 C ATOM 986 C ALA A 72 -8.220 10.732 14.361 1.00 33.35 C ATOM 987 O ALA A 72 -7.736 9.929 15.159 1.00 74.02 O ATOM 988 CB ALA A 72 -10.581 9.906 14.307 1.00 24.22 C ATOM 0 H ALA A 72 -8.701 8.407 13.006 1.00 54.30 H new ATOM 0 HA ALA A 72 -9.670 11.204 12.872 1.00 50.01 H new ATOM 0 HB1 ALA A 72 -10.855 10.713 14.986 1.00 24.22 H new ATOM 0 HB2 ALA A 72 -11.424 9.679 13.655 1.00 24.22 H new ATOM 0 HB3 ALA A 72 -10.320 9.019 14.884 1.00 24.22 H new ATOM 994 N ALA A 73 -7.772 11.975 14.225 1.00 50.34 N ATOM 995 CA ALA A 73 -6.662 12.479 15.023 1.00 2.33 C ATOM 996 C ALA A 73 -7.151 13.451 16.092 1.00 31.32 C ATOM 997 O ALA A 73 -7.573 14.566 15.786 1.00 62.05 O ATOM 998 CB ALA A 73 -5.631 13.151 14.129 1.00 45.30 C ATOM 0 H ALA A 73 -8.161 12.652 13.569 1.00 50.34 H new ATOM 0 HA ALA A 73 -6.195 11.632 15.525 1.00 2.33 H new ATOM 0 HB1 ALA A 73 -4.808 13.523 14.739 1.00 45.30 H new ATOM 0 HB2 ALA A 73 -5.250 12.429 13.406 1.00 45.30 H new ATOM 0 HB3 ALA A 73 -6.095 13.983 13.600 1.00 45.30 H new ATOM 1004 N PHE A 74 -7.093 13.020 17.348 1.00 63.20 N ATOM 1005 CA PHE A 74 -7.532 13.851 18.463 1.00 43.34 C ATOM 1006 C PHE A 74 -6.353 14.234 19.353 1.00 31.31 C ATOM 1007 O PHE A 74 -5.457 13.425 19.597 1.00 51.25 O ATOM 1008 CB PHE A 74 -8.591 13.118 19.287 1.00 35.33 C ATOM 1009 CG PHE A 74 -8.038 11.984 20.103 1.00 41.42 C ATOM 1010 CD1 PHE A 74 -7.528 12.210 21.371 1.00 42.50 C ATOM 1011 CD2 PHE A 74 -8.027 10.693 19.601 1.00 72.11 C ATOM 1012 CE1 PHE A 74 -7.018 11.170 22.124 1.00 20.33 C ATOM 1013 CE2 PHE A 74 -7.519 9.648 20.350 1.00 52.34 C ATOM 1014 CZ PHE A 74 -7.013 9.887 21.612 1.00 2.13 C ATOM 0 H PHE A 74 -6.746 12.100 17.619 1.00 63.20 H new ATOM 0 HA PHE A 74 -7.967 14.763 18.055 1.00 43.34 H new ATOM 0 HB2 PHE A 74 -9.079 13.830 19.953 1.00 35.33 H new ATOM 0 HB3 PHE A 74 -9.358 12.732 18.616 1.00 35.33 H new ATOM 0 HD1 PHE A 74 -7.529 13.211 21.776 1.00 42.50 H new ATOM 0 HD2 PHE A 74 -8.420 10.501 18.613 1.00 72.11 H new ATOM 0 HE1 PHE A 74 -6.624 11.360 23.111 1.00 20.33 H new ATOM 0 HE2 PHE A 74 -7.518 8.646 19.948 1.00 52.34 H new ATOM 0 HZ PHE A 74 -6.614 9.072 22.198 1.00 2.13 H new ATOM 1024 N ASP A 75 -6.361 15.471 19.835 1.00 11.53 N ATOM 1025 CA ASP A 75 -5.294 15.962 20.699 1.00 3.42 C ATOM 1026 C ASP A 75 -5.635 15.733 22.168 1.00 24.43 C ATOM 1027 O ASP A 75 -6.681 16.168 22.649 1.00 10.10 O ATOM 1028 CB ASP A 75 -5.048 17.451 20.447 1.00 60.34 C ATOM 1029 CG ASP A 75 -3.732 17.927 21.029 1.00 11.44 C ATOM 1030 OD1 ASP A 75 -3.329 17.405 22.090 1.00 1.52 O ATOM 1031 OD2 ASP A 75 -3.105 18.822 20.424 1.00 30.44 O ATOM 0 H ASP A 75 -7.095 16.153 19.642 1.00 11.53 H new ATOM 0 HA ASP A 75 -4.386 15.406 20.464 1.00 3.42 H new ATOM 0 HB2 ASP A 75 -5.057 17.641 19.374 1.00 60.34 H new ATOM 0 HB3 ASP A 75 -5.864 18.029 20.880 1.00 60.34 H new ATOM 1036 N PHE A 76 -4.745 15.045 22.876 1.00 21.23 N ATOM 1037 CA PHE A 76 -4.952 14.755 24.290 1.00 12.03 C ATOM 1038 C PHE A 76 -3.778 15.256 25.126 1.00 20.01 C ATOM 1039 O PHE A 76 -2.777 15.728 24.588 1.00 71.20 O ATOM 1040 CB PHE A 76 -5.139 13.251 24.502 1.00 10.35 C ATOM 1041 CG PHE A 76 -6.395 12.903 25.249 1.00 23.33 C ATOM 1042 CD1 PHE A 76 -7.633 13.306 24.776 1.00 62.34 C ATOM 1043 CD2 PHE A 76 -6.337 12.172 26.425 1.00 1.33 C ATOM 1044 CE1 PHE A 76 -8.790 12.986 25.460 1.00 13.32 C ATOM 1045 CE2 PHE A 76 -7.491 11.850 27.114 1.00 61.41 C ATOM 1046 CZ PHE A 76 -8.719 12.258 26.631 1.00 10.15 C ATOM 0 H PHE A 76 -3.874 14.678 22.493 1.00 21.23 H new ATOM 0 HA PHE A 76 -5.853 15.275 24.614 1.00 12.03 H new ATOM 0 HB2 PHE A 76 -5.153 12.754 23.532 1.00 10.35 H new ATOM 0 HB3 PHE A 76 -4.281 12.860 25.048 1.00 10.35 H new ATOM 0 HD1 PHE A 76 -7.695 13.877 23.862 1.00 62.34 H new ATOM 0 HD2 PHE A 76 -5.379 11.850 26.807 1.00 1.33 H new ATOM 0 HE1 PHE A 76 -9.749 13.305 25.079 1.00 13.32 H new ATOM 0 HE2 PHE A 76 -7.433 11.280 28.029 1.00 61.41 H new ATOM 0 HZ PHE A 76 -9.622 12.008 27.168 1.00 10.15 H new ATOM 1056 N GLU A 77 -3.910 15.150 26.445 1.00 61.23 N ATOM 1057 CA GLU A 77 -2.860 15.593 27.355 1.00 55.42 C ATOM 1058 C GLU A 77 -2.224 14.406 28.071 1.00 21.13 C ATOM 1059 O GLU A 77 -2.888 13.408 28.353 1.00 50.13 O ATOM 1060 CB GLU A 77 -3.427 16.578 28.380 1.00 5.01 C ATOM 1061 CG GLU A 77 -4.773 16.159 28.947 1.00 5.43 C ATOM 1062 CD GLU A 77 -5.283 17.118 30.005 1.00 33.05 C ATOM 1063 OE1 GLU A 77 -4.668 17.186 31.090 1.00 45.30 O ATOM 1064 OE2 GLU A 77 -6.298 17.799 29.750 1.00 50.13 O ATOM 0 H GLU A 77 -4.733 14.762 26.906 1.00 61.23 H new ATOM 0 HA GLU A 77 -2.091 16.094 26.767 1.00 55.42 H new ATOM 0 HB2 GLU A 77 -2.716 16.687 29.199 1.00 5.01 H new ATOM 0 HB3 GLU A 77 -3.528 17.558 27.913 1.00 5.01 H new ATOM 0 HG2 GLU A 77 -5.500 16.096 28.138 1.00 5.43 H new ATOM 0 HG3 GLU A 77 -4.687 15.161 29.377 1.00 5.43 H new ATOM 1167 N ARG A 85 2.126 18.166 29.267 1.00 74.53 N ATOM 1168 CA ARG A 85 2.603 17.685 27.976 1.00 61.42 C ATOM 1169 C ARG A 85 1.437 17.438 27.023 1.00 64.24 C ATOM 1170 O ARG A 85 0.335 17.093 27.450 1.00 44.31 O ATOM 1171 CB ARG A 85 3.411 16.398 28.154 1.00 3.10 C ATOM 1172 CG ARG A 85 4.573 16.269 27.183 1.00 41.25 C ATOM 1173 CD ARG A 85 5.602 17.369 27.395 1.00 33.22 C ATOM 1174 NE ARG A 85 5.429 18.470 26.451 1.00 21.33 N ATOM 1175 CZ ARG A 85 6.221 19.535 26.412 1.00 2.32 C ATOM 1176 NH1 ARG A 85 7.235 19.643 27.259 1.00 24.14 N ATOM 1177 NH2 ARG A 85 6.000 20.496 25.524 1.00 71.10 N ATOM 0 HA ARG A 85 3.246 18.453 27.545 1.00 61.42 H new ATOM 0 HB2 ARG A 85 3.794 16.358 29.174 1.00 3.10 H new ATOM 0 HB3 ARG A 85 2.747 15.542 28.029 1.00 3.10 H new ATOM 0 HG2 ARG A 85 5.048 15.296 27.310 1.00 41.25 H new ATOM 0 HG3 ARG A 85 4.200 16.311 26.160 1.00 41.25 H new ATOM 0 HD2 ARG A 85 5.522 17.749 28.414 1.00 33.22 H new ATOM 0 HD3 ARG A 85 6.604 16.954 27.288 1.00 33.22 H new ATOM 0 HE ARG A 85 4.658 18.418 25.785 1.00 21.33 H new ATOM 0 HH11 ARG A 85 7.409 18.907 27.943 1.00 24.14 H new ATOM 0 HH12 ARG A 85 7.842 20.462 27.226 1.00 24.14 H new ATOM 0 HH21 ARG A 85 5.221 20.417 24.870 1.00 71.10 H new ATOM 0 HH22 ARG A 85 6.609 21.314 25.495 1.00 71.10 H new ATOM 1191 N ASP A 86 1.689 17.617 25.730 1.00 35.05 N ATOM 1192 CA ASP A 86 0.661 17.413 24.716 1.00 15.34 C ATOM 1193 C ASP A 86 0.999 16.217 23.832 1.00 41.42 C ATOM 1194 O ASP A 86 2.136 16.065 23.384 1.00 73.32 O ATOM 1195 CB ASP A 86 0.504 18.670 23.859 1.00 62.15 C ATOM 1196 CG ASP A 86 -0.136 19.814 24.619 1.00 3.44 C ATOM 1197 OD1 ASP A 86 -0.165 19.754 25.866 1.00 14.22 O ATOM 1198 OD2 ASP A 86 -0.608 20.770 23.968 1.00 4.01 O ATOM 0 H ASP A 86 2.596 17.903 25.360 1.00 35.05 H new ATOM 0 HA ASP A 86 -0.281 17.210 25.225 1.00 15.34 H new ATOM 0 HB2 ASP A 86 1.483 18.982 23.495 1.00 62.15 H new ATOM 0 HB3 ASP A 86 -0.102 18.436 22.984 1.00 62.15 H new ATOM 1203 N LYS A 87 0.006 15.371 23.585 1.00 75.41 N ATOM 1204 CA LYS A 87 0.196 14.188 22.754 1.00 24.30 C ATOM 1205 C LYS A 87 -1.049 13.900 21.922 1.00 14.31 C ATOM 1206 O LYS A 87 -2.141 13.720 22.463 1.00 74.23 O ATOM 1207 CB LYS A 87 0.531 12.975 23.626 1.00 42.41 C ATOM 1208 CG LYS A 87 1.805 12.261 23.210 1.00 23.44 C ATOM 1209 CD LYS A 87 3.035 13.114 23.473 1.00 33.04 C ATOM 1210 CE LYS A 87 3.648 13.622 22.178 1.00 41.13 C ATOM 1211 NZ LYS A 87 4.460 14.852 22.393 1.00 15.10 N ATOM 0 H LYS A 87 -0.940 15.482 23.949 1.00 75.41 H new ATOM 0 HA LYS A 87 1.027 14.382 22.076 1.00 24.30 H new ATOM 0 HB2 LYS A 87 0.628 13.299 24.662 1.00 42.41 H new ATOM 0 HB3 LYS A 87 -0.300 12.270 23.588 1.00 42.41 H new ATOM 0 HG2 LYS A 87 1.890 11.321 23.755 1.00 23.44 H new ATOM 0 HG3 LYS A 87 1.754 12.012 22.150 1.00 23.44 H new ATOM 0 HD2 LYS A 87 2.764 13.960 24.105 1.00 33.04 H new ATOM 0 HD3 LYS A 87 3.774 12.530 24.022 1.00 33.04 H new ATOM 0 HE2 LYS A 87 4.276 12.844 21.744 1.00 41.13 H new ATOM 0 HE3 LYS A 87 2.856 13.831 21.459 1.00 41.13 H new ATOM 0 HZ1 LYS A 87 4.861 15.166 21.486 1.00 15.10 H new ATOM 0 HZ2 LYS A 87 3.856 15.603 22.784 1.00 15.10 H new ATOM 0 HZ3 LYS A 87 5.231 14.647 23.060 1.00 15.10 H new ATOM 1225 N LEU A 88 -0.879 13.858 20.605 1.00 21.24 N ATOM 1226 CA LEU A 88 -1.990 13.590 19.698 1.00 2.43 C ATOM 1227 C LEU A 88 -1.993 12.130 19.257 1.00 12.22 C ATOM 1228 O LEU A 88 -0.944 11.560 18.958 1.00 62.32 O ATOM 1229 CB LEU A 88 -1.906 14.505 18.475 1.00 72.53 C ATOM 1230 CG LEU A 88 -2.181 15.988 18.725 1.00 72.31 C ATOM 1231 CD1 LEU A 88 -0.877 16.766 18.805 1.00 12.22 C ATOM 1232 CD2 LEU A 88 -3.077 16.556 17.634 1.00 72.52 C ATOM 0 H LEU A 88 0.017 14.006 20.141 1.00 21.24 H new ATOM 0 HA LEU A 88 -2.919 13.790 20.231 1.00 2.43 H new ATOM 0 HB2 LEU A 88 -0.910 14.409 18.042 1.00 72.53 H new ATOM 0 HB3 LEU A 88 -2.614 14.146 17.728 1.00 72.53 H new ATOM 0 HG LEU A 88 -2.698 16.086 19.679 1.00 72.31 H new ATOM 0 HD11 LEU A 88 -1.092 17.820 18.983 1.00 12.22 H new ATOM 0 HD12 LEU A 88 -0.270 16.376 19.622 1.00 12.22 H new ATOM 0 HD13 LEU A 88 -0.332 16.661 17.867 1.00 12.22 H new ATOM 0 HD21 LEU A 88 -3.262 17.612 17.828 1.00 72.52 H new ATOM 0 HD22 LEU A 88 -2.587 16.445 16.667 1.00 72.52 H new ATOM 0 HD23 LEU A 88 -4.025 16.017 17.624 1.00 72.52 H new ATOM 1244 N ILE A 89 -3.179 11.532 19.218 1.00 51.45 N ATOM 1245 CA ILE A 89 -3.319 10.140 18.810 1.00 41.05 C ATOM 1246 C ILE A 89 -4.201 10.016 17.572 1.00 61.22 C ATOM 1247 O ILE A 89 -5.116 10.814 17.365 1.00 31.14 O ATOM 1248 CB ILE A 89 -3.915 9.279 19.939 1.00 2.42 C ATOM 1249 CG1 ILE A 89 -3.164 9.528 21.249 1.00 15.13 C ATOM 1250 CG2 ILE A 89 -3.864 7.806 19.565 1.00 33.41 C ATOM 1251 CD1 ILE A 89 -3.906 10.434 22.208 1.00 61.43 C ATOM 0 H ILE A 89 -4.057 11.990 19.464 1.00 51.45 H new ATOM 0 HA ILE A 89 -2.318 9.777 18.578 1.00 41.05 H new ATOM 0 HB ILE A 89 -4.958 9.562 20.080 1.00 2.42 H new ATOM 0 HG12 ILE A 89 -2.975 8.572 21.737 1.00 15.13 H new ATOM 0 HG13 ILE A 89 -2.193 9.968 21.024 1.00 15.13 H new ATOM 0 HG21 ILE A 89 -4.289 7.211 20.373 1.00 33.41 H new ATOM 0 HG22 ILE A 89 -4.438 7.642 18.653 1.00 33.41 H new ATOM 0 HG23 ILE A 89 -2.829 7.508 19.400 1.00 33.41 H new ATOM 0 HD11 ILE A 89 -3.315 10.566 23.114 1.00 61.43 H new ATOM 0 HD12 ILE A 89 -4.072 11.403 21.738 1.00 61.43 H new ATOM 0 HD13 ILE A 89 -4.866 9.986 22.463 1.00 61.43 H new ATOM 1263 N LEU A 90 -3.921 9.009 16.751 1.00 0.15 N ATOM 1264 CA LEU A 90 -4.690 8.778 15.534 1.00 72.13 C ATOM 1265 C LEU A 90 -5.244 7.357 15.501 1.00 50.12 C ATOM 1266 O LEU A 90 -4.488 6.385 15.526 1.00 12.22 O ATOM 1267 CB LEU A 90 -3.819 9.026 14.301 1.00 5.35 C ATOM 1268 CG LEU A 90 -4.497 8.821 12.947 1.00 71.33 C ATOM 1269 CD1 LEU A 90 -5.120 10.120 12.459 1.00 31.52 C ATOM 1270 CD2 LEU A 90 -3.501 8.289 11.927 1.00 70.14 C ATOM 0 H LEU A 90 -3.167 8.340 16.907 1.00 0.15 H new ATOM 0 HA LEU A 90 -5.528 9.476 15.526 1.00 72.13 H new ATOM 0 HB2 LEU A 90 -3.444 10.049 14.346 1.00 5.35 H new ATOM 0 HB3 LEU A 90 -2.953 8.366 14.354 1.00 5.35 H new ATOM 0 HG LEU A 90 -5.291 8.084 13.068 1.00 71.33 H new ATOM 0 HD11 LEU A 90 -5.598 9.954 11.494 1.00 31.52 H new ATOM 0 HD12 LEU A 90 -5.865 10.459 13.179 1.00 31.52 H new ATOM 0 HD13 LEU A 90 -4.344 10.879 12.354 1.00 31.52 H new ATOM 0 HD21 LEU A 90 -4.001 8.149 10.969 1.00 70.14 H new ATOM 0 HD22 LEU A 90 -2.685 9.002 11.810 1.00 70.14 H new ATOM 0 HD23 LEU A 90 -3.103 7.335 12.271 1.00 70.14 H new ATOM 1282 N ILE A 91 -6.567 7.244 15.442 1.00 4.32 N ATOM 1283 CA ILE A 91 -7.221 5.942 15.402 1.00 2.43 C ATOM 1284 C ILE A 91 -7.823 5.672 14.028 1.00 72.22 C ATOM 1285 O ILE A 91 -8.611 6.468 13.516 1.00 24.31 O ATOM 1286 CB ILE A 91 -8.329 5.837 16.466 1.00 34.51 C ATOM 1287 CG1 ILE A 91 -7.745 6.043 17.865 1.00 14.21 C ATOM 1288 CG2 ILE A 91 -9.027 4.488 16.371 1.00 33.04 C ATOM 1289 CD1 ILE A 91 -8.731 6.632 18.850 1.00 4.32 C ATOM 0 H ILE A 91 -7.207 8.038 15.421 1.00 4.32 H new ATOM 0 HA ILE A 91 -6.455 5.196 15.613 1.00 2.43 H new ATOM 0 HB ILE A 91 -9.065 6.620 16.282 1.00 34.51 H new ATOM 0 HG12 ILE A 91 -7.390 5.086 18.247 1.00 14.21 H new ATOM 0 HG13 ILE A 91 -6.878 6.699 17.795 1.00 14.21 H new ATOM 0 HG21 ILE A 91 -9.808 4.428 17.129 1.00 33.04 H new ATOM 0 HG22 ILE A 91 -9.472 4.378 15.382 1.00 33.04 H new ATOM 0 HG23 ILE A 91 -8.302 3.691 16.533 1.00 33.04 H new ATOM 0 HD11 ILE A 91 -8.249 6.750 19.820 1.00 4.32 H new ATOM 0 HD12 ILE A 91 -9.067 7.605 18.491 1.00 4.32 H new ATOM 0 HD13 ILE A 91 -9.588 5.966 18.949 1.00 4.32 H new ATOM 1301 N SER A 92 -7.449 4.542 13.436 1.00 42.24 N ATOM 1302 CA SER A 92 -7.950 4.167 12.119 1.00 75.31 C ATOM 1303 C SER A 92 -8.923 2.996 12.222 1.00 60.32 C ATOM 1304 O SER A 92 -8.696 2.051 12.978 1.00 12.21 O ATOM 1305 CB SER A 92 -6.789 3.800 11.193 1.00 52.12 C ATOM 1306 OG SER A 92 -5.595 4.451 11.590 1.00 1.13 O ATOM 0 H SER A 92 -6.801 3.870 13.848 1.00 42.24 H new ATOM 0 HA SER A 92 -8.481 5.023 11.702 1.00 75.31 H new ATOM 0 HB2 SER A 92 -6.639 2.720 11.203 1.00 52.12 H new ATOM 0 HB3 SER A 92 -7.035 4.078 10.168 1.00 52.12 H new ATOM 0 HG SER A 92 -5.148 4.825 10.802 1.00 1.13 H new ATOM 1312 N TRP A 93 -10.006 3.065 11.456 1.00 2.51 N ATOM 1313 CA TRP A 93 -11.014 2.011 11.460 1.00 1.45 C ATOM 1314 C TRP A 93 -10.789 1.038 10.308 1.00 11.44 C ATOM 1315 O TRP A 93 -10.897 1.410 9.141 1.00 62.24 O ATOM 1316 CB TRP A 93 -12.415 2.617 11.367 1.00 52.35 C ATOM 1317 CG TRP A 93 -13.209 2.477 12.630 1.00 30.31 C ATOM 1318 CD1 TRP A 93 -14.183 1.554 12.888 1.00 44.30 C ATOM 1319 CD2 TRP A 93 -13.098 3.285 13.806 1.00 1.33 C ATOM 1320 NE1 TRP A 93 -14.683 1.741 14.154 1.00 74.11 N ATOM 1321 CE2 TRP A 93 -14.034 2.796 14.738 1.00 30.13 C ATOM 1322 CE3 TRP A 93 -12.298 4.374 14.164 1.00 65.40 C ATOM 1323 CZ2 TRP A 93 -14.190 3.359 16.002 1.00 53.31 C ATOM 1324 CZ3 TRP A 93 -12.454 4.932 15.418 1.00 30.23 C ATOM 1325 CH2 TRP A 93 -13.394 4.424 16.325 1.00 24.13 C ATOM 0 H TRP A 93 -10.209 3.840 10.824 1.00 2.51 H new ATOM 0 HA TRP A 93 -10.925 1.461 12.397 1.00 1.45 H new ATOM 0 HB2 TRP A 93 -12.330 3.674 11.116 1.00 52.35 H new ATOM 0 HB3 TRP A 93 -12.957 2.138 10.551 1.00 52.35 H new ATOM 0 HD1 TRP A 93 -14.511 0.790 12.199 1.00 44.30 H new ATOM 0 HE1 TRP A 93 -15.419 1.184 14.589 1.00 74.11 H new ATOM 0 HE3 TRP A 93 -11.571 4.772 13.472 1.00 65.40 H new ATOM 0 HZ2 TRP A 93 -14.914 2.969 16.702 1.00 53.31 H new ATOM 0 HZ3 TRP A 93 -11.841 5.774 15.704 1.00 30.23 H new ATOM 0 HH2 TRP A 93 -13.492 4.882 17.298 1.00 24.13 H new ATOM 1336 N ASN A 94 -10.476 -0.209 10.645 1.00 14.31 N ATOM 1337 CA ASN A 94 -10.236 -1.235 9.637 1.00 31.13 C ATOM 1338 C ASN A 94 -10.578 -2.620 10.179 1.00 43.10 C ATOM 1339 O ASN A 94 -9.704 -3.391 10.577 1.00 12.11 O ATOM 1340 CB ASN A 94 -8.776 -1.200 9.181 1.00 10.42 C ATOM 1341 CG ASN A 94 -8.510 -2.140 8.021 1.00 4.54 C ATOM 1342 OD1 ASN A 94 -9.430 -2.540 7.308 1.00 2.32 O ATOM 1343 ND2 ASN A 94 -7.245 -2.497 7.828 1.00 53.20 N ATOM 0 H ASN A 94 -10.383 -0.533 11.608 1.00 14.31 H new ATOM 0 HA ASN A 94 -10.881 -1.028 8.783 1.00 31.13 H new ATOM 0 HB2 ASN A 94 -8.514 -0.183 8.889 1.00 10.42 H new ATOM 0 HB3 ASN A 94 -8.130 -1.468 10.017 1.00 10.42 H new ATOM 0 HD21 ASN A 94 -7.004 -3.128 7.063 1.00 53.20 H new ATOM 0 HD22 ASN A 94 -6.515 -2.140 8.444 1.00 53.20 H new ATOM 1350 N PRO A 95 -11.879 -2.945 10.195 1.00 40.44 N ATOM 1351 CA PRO A 95 -12.366 -4.238 10.684 1.00 54.33 C ATOM 1352 C PRO A 95 -11.990 -5.388 9.756 1.00 41.21 C ATOM 1353 O PRO A 95 -12.174 -5.304 8.541 1.00 11.15 O ATOM 1354 CB PRO A 95 -13.886 -4.054 10.718 1.00 24.14 C ATOM 1355 CG PRO A 95 -14.163 -2.996 9.707 1.00 65.34 C ATOM 1356 CD PRO A 95 -12.975 -2.075 9.735 1.00 3.33 C ATOM 0 HA PRO A 95 -11.932 -4.498 11.649 1.00 54.33 H new ATOM 0 HB2 PRO A 95 -14.403 -4.982 10.472 1.00 24.14 H new ATOM 0 HB3 PRO A 95 -14.226 -3.753 11.709 1.00 24.14 H new ATOM 0 HG2 PRO A 95 -14.298 -3.429 8.716 1.00 65.34 H new ATOM 0 HG3 PRO A 95 -15.080 -2.458 9.947 1.00 65.34 H new ATOM 0 HD2 PRO A 95 -12.769 -1.655 8.750 1.00 3.33 H new ATOM 0 HD3 PRO A 95 -13.133 -1.236 10.412 1.00 3.33 H new ATOM 1364 N ASP A 96 -11.462 -6.461 10.335 1.00 14.41 N ATOM 1365 CA ASP A 96 -11.061 -7.629 9.560 1.00 53.22 C ATOM 1366 C ASP A 96 -12.244 -8.197 8.783 1.00 74.54 C ATOM 1367 O ASP A 96 -12.066 -8.902 7.789 1.00 32.22 O ATOM 1368 CB ASP A 96 -10.476 -8.702 10.480 1.00 53.44 C ATOM 1369 CG ASP A 96 -11.540 -9.399 11.305 1.00 24.11 C ATOM 1370 OD1 ASP A 96 -12.324 -8.697 11.977 1.00 63.11 O ATOM 1371 OD2 ASP A 96 -11.587 -10.647 11.280 1.00 51.00 O ATOM 0 H ASP A 96 -11.302 -6.546 11.339 1.00 14.41 H new ATOM 0 HA ASP A 96 -10.297 -7.317 8.847 1.00 53.22 H new ATOM 0 HB2 ASP A 96 -9.944 -9.440 9.880 1.00 53.44 H new ATOM 0 HB3 ASP A 96 -9.744 -8.246 11.147 1.00 53.44 H new ATOM 1376 N SER A 97 -13.452 -7.887 9.243 1.00 73.34 N ATOM 1377 CA SER A 97 -14.665 -8.372 8.594 1.00 50.54 C ATOM 1378 C SER A 97 -15.326 -7.262 7.781 1.00 34.24 C ATOM 1379 O SER A 97 -16.477 -7.384 7.365 1.00 75.43 O ATOM 1380 CB SER A 97 -15.646 -8.910 9.636 1.00 35.32 C ATOM 1381 OG SER A 97 -15.481 -10.306 9.819 1.00 10.21 O ATOM 0 H SER A 97 -13.617 -7.302 10.062 1.00 73.34 H new ATOM 0 HA SER A 97 -14.388 -9.180 7.916 1.00 50.54 H new ATOM 0 HB2 SER A 97 -15.493 -8.395 10.584 1.00 35.32 H new ATOM 0 HB3 SER A 97 -16.668 -8.700 9.321 1.00 35.32 H new ATOM 0 HG SER A 97 -16.119 -10.625 10.491 1.00 10.21 H new ATOM 1387 N GLY A 98 -14.588 -6.178 7.560 1.00 34.45 N ATOM 1388 CA GLY A 98 -15.119 -5.062 6.799 1.00 22.35 C ATOM 1389 C GLY A 98 -15.270 -5.385 5.326 1.00 1.21 C ATOM 1390 O GLY A 98 -16.202 -6.083 4.929 1.00 14.22 O ATOM 0 H GLY A 98 -13.632 -6.053 7.894 1.00 34.45 H new ATOM 0 HA2 GLY A 98 -16.089 -4.777 7.207 1.00 22.35 H new ATOM 0 HA3 GLY A 98 -14.460 -4.202 6.913 1.00 22.35 H new ATOM 1394 N ALA A 99 -14.351 -4.874 4.513 1.00 71.21 N ATOM 1395 CA ALA A 99 -14.386 -5.112 3.075 1.00 33.23 C ATOM 1396 C ALA A 99 -12.977 -5.221 2.502 1.00 33.12 C ATOM 1397 O ALA A 99 -12.001 -4.767 3.100 1.00 73.31 O ATOM 1398 CB ALA A 99 -15.158 -4.004 2.376 1.00 55.54 C ATOM 0 H ALA A 99 -13.573 -4.293 4.826 1.00 71.21 H new ATOM 0 HA ALA A 99 -14.895 -6.060 2.901 1.00 33.23 H new ATOM 0 HB1 ALA A 99 -15.176 -4.194 1.303 1.00 55.54 H new ATOM 0 HB2 ALA A 99 -16.179 -3.976 2.757 1.00 55.54 H new ATOM 0 HB3 ALA A 99 -14.673 -3.047 2.566 1.00 55.54 H new ATOM 1404 N PRO A 100 -12.866 -5.837 1.316 1.00 31.52 N ATOM 1405 CA PRO A 100 -11.580 -6.020 0.637 1.00 71.53 C ATOM 1406 C PRO A 100 -11.006 -4.706 0.118 1.00 75.41 C ATOM 1407 O PRO A 100 -9.797 -4.482 0.171 1.00 70.43 O ATOM 1408 CB PRO A 100 -11.924 -6.951 -0.529 1.00 71.00 C ATOM 1409 CG PRO A 100 -13.371 -6.713 -0.790 1.00 15.35 C ATOM 1410 CD PRO A 100 -13.987 -6.403 0.547 1.00 52.21 C ATOM 0 HA PRO A 100 -10.818 -6.417 1.308 1.00 71.53 H new ATOM 0 HB2 PRO A 100 -11.321 -6.724 -1.408 1.00 71.00 H new ATOM 0 HB3 PRO A 100 -11.734 -7.993 -0.273 1.00 71.00 H new ATOM 0 HG2 PRO A 100 -13.511 -5.886 -1.486 1.00 15.35 H new ATOM 0 HG3 PRO A 100 -13.836 -7.590 -1.240 1.00 15.35 H new ATOM 0 HD2 PRO A 100 -14.810 -5.694 0.456 1.00 52.21 H new ATOM 0 HD3 PRO A 100 -14.389 -7.298 1.022 1.00 52.21 H new ATOM 1418 N ARG A 101 -11.882 -3.841 -0.383 1.00 3.43 N ATOM 1419 CA ARG A 101 -11.461 -2.549 -0.912 1.00 14.33 C ATOM 1420 C ARG A 101 -10.950 -1.644 0.206 1.00 55.23 C ATOM 1421 O ARG A 101 -9.915 -0.992 0.068 1.00 64.23 O ATOM 1422 CB ARG A 101 -12.622 -1.870 -1.641 1.00 73.23 C ATOM 1423 CG ARG A 101 -12.623 -2.112 -3.142 1.00 10.11 C ATOM 1424 CD ARG A 101 -13.410 -1.039 -3.878 1.00 73.55 C ATOM 1425 NE ARG A 101 -14.579 -1.589 -4.559 1.00 74.34 N ATOM 1426 CZ ARG A 101 -15.533 -0.841 -5.102 1.00 14.22 C ATOM 1427 NH1 ARG A 101 -15.457 0.482 -5.043 1.00 61.54 N ATOM 1428 NH2 ARG A 101 -16.567 -1.415 -5.705 1.00 24.13 N ATOM 0 H ARG A 101 -12.886 -4.011 -0.434 1.00 3.43 H new ATOM 0 HA ARG A 101 -10.648 -2.721 -1.618 1.00 14.33 H new ATOM 0 HB2 ARG A 101 -13.562 -2.229 -1.223 1.00 73.23 H new ATOM 0 HB3 ARG A 101 -12.579 -0.797 -1.454 1.00 73.23 H new ATOM 0 HG2 ARG A 101 -11.597 -2.129 -3.510 1.00 10.11 H new ATOM 0 HG3 ARG A 101 -13.054 -3.091 -3.354 1.00 10.11 H new ATOM 0 HD2 ARG A 101 -13.729 -0.274 -3.170 1.00 73.55 H new ATOM 0 HD3 ARG A 101 -12.763 -0.550 -4.606 1.00 73.55 H new ATOM 0 HE ARG A 101 -14.668 -2.603 -4.621 1.00 74.34 H new ATOM 0 HH11 ARG A 101 -14.665 0.927 -4.580 1.00 61.54 H new ATOM 0 HH12 ARG A 101 -16.191 1.054 -5.461 1.00 61.54 H new ATOM 0 HH21 ARG A 101 -16.630 -2.432 -5.752 1.00 24.13 H new ATOM 0 HH22 ARG A 101 -17.299 -0.839 -6.121 1.00 24.13 H new ATOM 1442 N THR A 102 -11.685 -1.608 1.314 1.00 44.25 N ATOM 1443 CA THR A 102 -11.307 -0.782 2.454 1.00 75.22 C ATOM 1444 C THR A 102 -10.056 -1.324 3.135 1.00 43.23 C ATOM 1445 O THR A 102 -9.186 -0.561 3.556 1.00 63.04 O ATOM 1446 CB THR A 102 -12.446 -0.699 3.488 1.00 23.53 C ATOM 1447 OG1 THR A 102 -12.039 0.105 4.601 1.00 40.01 O ATOM 1448 CG2 THR A 102 -12.837 -2.087 3.975 1.00 4.31 C ATOM 0 H THR A 102 -12.545 -2.141 1.446 1.00 44.25 H new ATOM 0 HA THR A 102 -11.103 0.217 2.068 1.00 75.22 H new ATOM 0 HB THR A 102 -13.311 -0.243 3.007 1.00 23.53 H new ATOM 0 HG1 THR A 102 -12.796 0.225 5.212 1.00 40.01 H new ATOM 0 HG21 THR A 102 -13.643 -2.003 4.704 1.00 4.31 H new ATOM 0 HG22 THR A 102 -13.173 -2.688 3.130 1.00 4.31 H new ATOM 0 HG23 THR A 102 -11.975 -2.566 4.440 1.00 4.31 H new ATOM 1456 N LYS A 103 -9.970 -2.646 3.240 1.00 42.44 N ATOM 1457 CA LYS A 103 -8.823 -3.291 3.868 1.00 51.23 C ATOM 1458 C LYS A 103 -7.527 -2.904 3.162 1.00 32.12 C ATOM 1459 O LYS A 103 -6.548 -2.528 3.805 1.00 22.05 O ATOM 1460 CB LYS A 103 -8.993 -4.812 3.847 1.00 11.54 C ATOM 1461 CG LYS A 103 -9.669 -5.365 5.090 1.00 1.31 C ATOM 1462 CD LYS A 103 -9.622 -6.883 5.121 1.00 32.12 C ATOM 1463 CE LYS A 103 -8.290 -7.389 5.653 1.00 42.14 C ATOM 1464 NZ LYS A 103 -7.488 -8.058 4.592 1.00 64.44 N ATOM 0 H LYS A 103 -10.682 -3.292 2.898 1.00 42.44 H new ATOM 0 HA LYS A 103 -8.768 -2.952 4.902 1.00 51.23 H new ATOM 0 HB2 LYS A 103 -9.577 -5.092 2.971 1.00 11.54 H new ATOM 0 HB3 LYS A 103 -8.013 -5.277 3.739 1.00 11.54 H new ATOM 0 HG2 LYS A 103 -9.180 -4.967 5.979 1.00 1.31 H new ATOM 0 HG3 LYS A 103 -10.706 -5.031 5.120 1.00 1.31 H new ATOM 0 HD2 LYS A 103 -10.431 -7.260 5.746 1.00 32.12 H new ATOM 0 HD3 LYS A 103 -9.786 -7.274 4.117 1.00 32.12 H new ATOM 0 HE2 LYS A 103 -7.723 -6.554 6.065 1.00 42.14 H new ATOM 0 HE3 LYS A 103 -8.467 -8.089 6.470 1.00 42.14 H new ATOM 0 HZ1 LYS A 103 -6.588 -8.389 4.994 1.00 64.44 H new ATOM 0 HZ2 LYS A 103 -8.018 -8.870 4.216 1.00 64.44 H new ATOM 0 HZ3 LYS A 103 -7.297 -7.383 3.824 1.00 64.44 H new ATOM 1478 N MET A 104 -7.530 -2.998 1.836 1.00 2.25 N ATOM 1479 CA MET A 104 -6.355 -2.655 1.044 1.00 5.22 C ATOM 1480 C MET A 104 -6.128 -1.146 1.033 1.00 25.53 C ATOM 1481 O MET A 104 -4.989 -0.679 1.093 1.00 33.34 O ATOM 1482 CB MET A 104 -6.511 -3.169 -0.388 1.00 62.12 C ATOM 1483 CG MET A 104 -5.563 -4.307 -0.732 1.00 51.32 C ATOM 1484 SD MET A 104 -6.161 -5.907 -0.156 1.00 73.34 S ATOM 1485 CE MET A 104 -4.628 -6.675 0.363 1.00 54.23 C ATOM 0 H MET A 104 -8.332 -3.309 1.288 1.00 2.25 H new ATOM 0 HA MET A 104 -5.488 -3.132 1.501 1.00 5.22 H new ATOM 0 HB2 MET A 104 -7.537 -3.505 -0.535 1.00 62.12 H new ATOM 0 HB3 MET A 104 -6.343 -2.345 -1.081 1.00 62.12 H new ATOM 0 HG2 MET A 104 -5.422 -4.344 -1.812 1.00 51.32 H new ATOM 0 HG3 MET A 104 -4.587 -4.108 -0.290 1.00 51.32 H new ATOM 0 HE1 MET A 104 -4.833 -7.675 0.745 1.00 54.23 H new ATOM 0 HE2 MET A 104 -3.949 -6.744 -0.487 1.00 54.23 H new ATOM 0 HE3 MET A 104 -4.167 -6.074 1.147 1.00 54.23 H new ATOM 1495 N LEU A 105 -7.216 -0.389 0.956 1.00 34.41 N ATOM 1496 CA LEU A 105 -7.136 1.067 0.937 1.00 2.01 C ATOM 1497 C LEU A 105 -6.362 1.585 2.145 1.00 14.43 C ATOM 1498 O LEU A 105 -5.625 2.566 2.049 1.00 44.34 O ATOM 1499 CB LEU A 105 -8.539 1.675 0.917 1.00 74.14 C ATOM 1500 CG LEU A 105 -8.986 2.289 -0.411 1.00 25.12 C ATOM 1501 CD1 LEU A 105 -8.969 1.243 -1.515 1.00 40.30 C ATOM 1502 CD2 LEU A 105 -10.372 2.902 -0.276 1.00 5.55 C ATOM 0 H LEU A 105 -8.165 -0.759 0.906 1.00 34.41 H new ATOM 0 HA LEU A 105 -6.605 1.365 0.033 1.00 2.01 H new ATOM 0 HB2 LEU A 105 -9.253 0.900 1.194 1.00 74.14 H new ATOM 0 HB3 LEU A 105 -8.590 2.446 1.686 1.00 74.14 H new ATOM 0 HG LEU A 105 -8.285 3.080 -0.677 1.00 25.12 H new ATOM 0 HD11 LEU A 105 -9.290 1.698 -2.452 1.00 40.30 H new ATOM 0 HD12 LEU A 105 -7.958 0.851 -1.629 1.00 40.30 H new ATOM 0 HD13 LEU A 105 -9.647 0.429 -1.256 1.00 40.30 H new ATOM 0 HD21 LEU A 105 -10.673 3.334 -1.230 1.00 5.55 H new ATOM 0 HD22 LEU A 105 -11.085 2.130 0.014 1.00 5.55 H new ATOM 0 HD23 LEU A 105 -10.352 3.682 0.485 1.00 5.55 H new ATOM 1514 N TYR A 106 -6.535 0.919 3.282 1.00 42.35 N ATOM 1515 CA TYR A 106 -5.853 1.313 4.509 1.00 32.30 C ATOM 1516 C TYR A 106 -4.339 1.282 4.325 1.00 20.44 C ATOM 1517 O TYR A 106 -3.629 2.179 4.779 1.00 62.10 O ATOM 1518 CB TYR A 106 -6.258 0.390 5.660 1.00 64.11 C ATOM 1519 CG TYR A 106 -5.441 0.595 6.916 1.00 62.53 C ATOM 1520 CD1 TYR A 106 -5.665 1.687 7.744 1.00 43.53 C ATOM 1521 CD2 TYR A 106 -4.445 -0.306 7.275 1.00 74.22 C ATOM 1522 CE1 TYR A 106 -4.920 1.879 8.891 1.00 32.44 C ATOM 1523 CE2 TYR A 106 -3.697 -0.124 8.422 1.00 41.14 C ATOM 1524 CZ TYR A 106 -3.938 0.970 9.226 1.00 3.23 C ATOM 1525 OH TYR A 106 -3.195 1.156 10.370 1.00 41.24 O ATOM 0 H TYR A 106 -7.141 0.104 3.379 1.00 42.35 H new ATOM 0 HA TYR A 106 -6.150 2.334 4.749 1.00 32.30 H new ATOM 0 HB2 TYR A 106 -7.311 0.551 5.891 1.00 64.11 H new ATOM 0 HB3 TYR A 106 -6.158 -0.646 5.336 1.00 64.11 H new ATOM 0 HD1 TYR A 106 -6.435 2.399 7.487 1.00 43.53 H new ATOM 0 HD2 TYR A 106 -4.253 -1.163 6.646 1.00 74.22 H new ATOM 0 HE1 TYR A 106 -5.105 2.736 9.522 1.00 32.44 H new ATOM 0 HE2 TYR A 106 -2.928 -0.834 8.687 1.00 41.14 H new ATOM 0 HH TYR A 106 -3.492 1.973 10.824 1.00 41.24 H new ATOM 1535 N SER A 107 -3.852 0.242 3.656 1.00 61.30 N ATOM 1536 CA SER A 107 -2.422 0.090 3.414 1.00 40.31 C ATOM 1537 C SER A 107 -1.955 1.035 2.311 1.00 63.35 C ATOM 1538 O SER A 107 -0.865 1.603 2.384 1.00 31.45 O ATOM 1539 CB SER A 107 -2.098 -1.356 3.034 1.00 1.12 C ATOM 1540 OG SER A 107 -0.923 -1.804 3.688 1.00 42.44 O ATOM 0 H SER A 107 -4.427 -0.508 3.272 1.00 61.30 H new ATOM 0 HA SER A 107 -1.894 0.343 4.333 1.00 40.31 H new ATOM 0 HB2 SER A 107 -2.935 -2.002 3.300 1.00 1.12 H new ATOM 0 HB3 SER A 107 -1.968 -1.431 1.954 1.00 1.12 H new ATOM 0 HG SER A 107 -0.738 -2.731 3.430 1.00 42.44 H new ATOM 1546 N SER A 108 -2.788 1.197 1.287 1.00 4.35 N ATOM 1547 CA SER A 108 -2.460 2.069 0.166 1.00 44.51 C ATOM 1548 C SER A 108 -2.420 3.530 0.606 1.00 35.45 C ATOM 1549 O SER A 108 -1.758 4.360 -0.016 1.00 22.33 O ATOM 1550 CB SER A 108 -3.479 1.892 -0.961 1.00 13.12 C ATOM 1551 OG SER A 108 -2.979 1.034 -1.971 1.00 63.13 O ATOM 0 H SER A 108 -3.695 0.736 1.211 1.00 4.35 H new ATOM 0 HA SER A 108 -1.472 1.791 -0.200 1.00 44.51 H new ATOM 0 HB2 SER A 108 -4.405 1.482 -0.557 1.00 13.12 H new ATOM 0 HB3 SER A 108 -3.721 2.863 -1.392 1.00 13.12 H new ATOM 0 HG SER A 108 -3.650 0.936 -2.679 1.00 63.13 H new ATOM 1557 N SER A 109 -3.136 3.835 1.684 1.00 3.33 N ATOM 1558 CA SER A 109 -3.187 5.196 2.207 1.00 22.53 C ATOM 1559 C SER A 109 -2.278 5.345 3.423 1.00 24.54 C ATOM 1560 O SER A 109 -1.891 6.454 3.791 1.00 43.14 O ATOM 1561 CB SER A 109 -4.623 5.567 2.582 1.00 60.04 C ATOM 1562 OG SER A 109 -5.538 5.121 1.596 1.00 14.01 O ATOM 0 H SER A 109 -3.688 3.159 2.212 1.00 3.33 H new ATOM 0 HA SER A 109 -2.836 5.872 1.427 1.00 22.53 H new ATOM 0 HB2 SER A 109 -4.877 5.124 3.545 1.00 60.04 H new ATOM 0 HB3 SER A 109 -4.705 6.648 2.696 1.00 60.04 H new ATOM 0 HG SER A 109 -5.836 4.213 1.813 1.00 14.01 H new ATOM 1568 N ARG A 110 -1.941 4.219 4.044 1.00 64.42 N ATOM 1569 CA ARG A 110 -1.078 4.223 5.219 1.00 31.43 C ATOM 1570 C ARG A 110 0.309 4.757 4.874 1.00 71.40 C ATOM 1571 O ARG A 110 0.914 5.492 5.654 1.00 13.22 O ATOM 1572 CB ARG A 110 -0.963 2.811 5.799 1.00 54.52 C ATOM 1573 CG ARG A 110 -1.720 2.626 7.104 1.00 70.42 C ATOM 1574 CD ARG A 110 -0.925 1.790 8.095 1.00 45.51 C ATOM 1575 NE ARG A 110 -0.792 0.403 7.659 1.00 45.03 N ATOM 1576 CZ ARG A 110 -0.102 -0.515 8.327 1.00 12.35 C ATOM 1577 NH1 ARG A 110 0.513 -0.194 9.457 1.00 12.33 N ATOM 1578 NH2 ARG A 110 -0.028 -1.757 7.866 1.00 4.35 N ATOM 0 H ARG A 110 -2.253 3.292 3.753 1.00 64.42 H new ATOM 0 HA ARG A 110 -1.526 4.880 5.965 1.00 31.43 H new ATOM 0 HB2 ARG A 110 -1.337 2.095 5.067 1.00 54.52 H new ATOM 0 HB3 ARG A 110 0.089 2.579 5.963 1.00 54.52 H new ATOM 0 HG2 ARG A 110 -1.938 3.601 7.541 1.00 70.42 H new ATOM 0 HG3 ARG A 110 -2.677 2.144 6.905 1.00 70.42 H new ATOM 0 HD2 ARG A 110 0.066 2.226 8.224 1.00 45.51 H new ATOM 0 HD3 ARG A 110 -1.415 1.819 9.068 1.00 45.51 H new ATOM 0 HE ARG A 110 -1.254 0.123 6.794 1.00 45.03 H new ATOM 0 HH11 ARG A 110 0.457 0.759 9.815 1.00 12.33 H new ATOM 0 HH12 ARG A 110 1.042 -0.900 9.968 1.00 12.33 H new ATOM 0 HH21 ARG A 110 -0.501 -2.008 6.998 1.00 4.35 H new ATOM 0 HH22 ARG A 110 0.502 -2.461 8.380 1.00 4.35 H new ATOM 1592 N ASP A 111 0.807 4.381 3.701 1.00 34.21 N ATOM 1593 CA ASP A 111 2.122 4.822 3.252 1.00 40.11 C ATOM 1594 C ASP A 111 2.144 6.332 3.034 1.00 32.25 C ATOM 1595 O ASP A 111 3.133 6.998 3.337 1.00 1.20 O ATOM 1596 CB ASP A 111 2.511 4.103 1.960 1.00 61.55 C ATOM 1597 CG ASP A 111 3.866 3.430 2.057 1.00 44.33 C ATOM 1598 OD1 ASP A 111 4.885 4.152 2.096 1.00 64.53 O ATOM 1599 OD2 ASP A 111 3.908 2.183 2.094 1.00 22.15 O ATOM 0 H ASP A 111 0.320 3.772 3.044 1.00 34.21 H new ATOM 0 HA ASP A 111 2.845 4.574 4.029 1.00 40.11 H new ATOM 0 HB2 ASP A 111 1.754 3.356 1.721 1.00 61.55 H new ATOM 0 HB3 ASP A 111 2.522 4.819 1.138 1.00 61.55 H new ATOM 1604 N ALA A 112 1.046 6.864 2.507 1.00 3.50 N ATOM 1605 CA ALA A 112 0.939 8.295 2.250 1.00 42.21 C ATOM 1606 C ALA A 112 0.611 9.060 3.528 1.00 23.40 C ATOM 1607 O ALA A 112 0.966 10.231 3.672 1.00 73.44 O ATOM 1608 CB ALA A 112 -0.116 8.563 1.187 1.00 31.11 C ATOM 0 H ALA A 112 0.219 6.326 2.250 1.00 3.50 H new ATOM 0 HA ALA A 112 1.904 8.646 1.885 1.00 42.21 H new ATOM 0 HB1 ALA A 112 -0.185 9.636 1.005 1.00 31.11 H new ATOM 0 HB2 ALA A 112 0.161 8.056 0.263 1.00 31.11 H new ATOM 0 HB3 ALA A 112 -1.081 8.190 1.530 1.00 31.11 H new ATOM 1614 N LEU A 113 -0.068 8.391 4.454 1.00 44.32 N ATOM 1615 CA LEU A 113 -0.444 9.008 5.721 1.00 53.31 C ATOM 1616 C LEU A 113 0.706 8.944 6.721 1.00 53.21 C ATOM 1617 O LEU A 113 0.765 9.731 7.666 1.00 43.02 O ATOM 1618 CB LEU A 113 -1.679 8.316 6.301 1.00 63.31 C ATOM 1619 CG LEU A 113 -3.025 8.971 5.989 1.00 4.21 C ATOM 1620 CD1 LEU A 113 -4.119 7.920 5.886 1.00 41.24 C ATOM 1621 CD2 LEU A 113 -3.373 10.004 7.051 1.00 54.13 C ATOM 0 H LEU A 113 -0.369 7.422 4.351 1.00 44.32 H new ATOM 0 HA LEU A 113 -0.678 10.056 5.531 1.00 53.31 H new ATOM 0 HB2 LEU A 113 -1.703 7.291 5.932 1.00 63.31 H new ATOM 0 HB3 LEU A 113 -1.566 8.263 7.384 1.00 63.31 H new ATOM 0 HG LEU A 113 -2.947 9.479 5.028 1.00 4.21 H new ATOM 0 HD11 LEU A 113 -5.070 8.405 5.664 1.00 41.24 H new ATOM 0 HD12 LEU A 113 -3.875 7.217 5.089 1.00 41.24 H new ATOM 0 HD13 LEU A 113 -4.198 7.383 6.831 1.00 41.24 H new ATOM 0 HD21 LEU A 113 -4.334 10.460 6.814 1.00 54.13 H new ATOM 0 HD22 LEU A 113 -3.433 9.518 8.025 1.00 54.13 H new ATOM 0 HD23 LEU A 113 -2.602 10.774 7.076 1.00 54.13 H new ATOM 1633 N VAL A 114 1.619 8.003 6.505 1.00 22.20 N ATOM 1634 CA VAL A 114 2.770 7.838 7.385 1.00 32.12 C ATOM 1635 C VAL A 114 3.525 9.151 7.554 1.00 44.22 C ATOM 1636 O VAL A 114 3.739 9.635 8.666 1.00 50.04 O ATOM 1637 CB VAL A 114 3.738 6.767 6.849 1.00 73.42 C ATOM 1638 CG1 VAL A 114 5.166 7.081 7.265 1.00 25.04 C ATOM 1639 CG2 VAL A 114 3.324 5.385 7.333 1.00 41.10 C ATOM 0 H VAL A 114 1.584 7.343 5.728 1.00 22.20 H new ATOM 0 HA VAL A 114 2.385 7.517 8.353 1.00 32.12 H new ATOM 0 HB VAL A 114 3.693 6.774 5.760 1.00 73.42 H new ATOM 0 HG11 VAL A 114 5.835 6.313 6.877 1.00 25.04 H new ATOM 0 HG12 VAL A 114 5.457 8.052 6.864 1.00 25.04 H new ATOM 0 HG13 VAL A 114 5.232 7.103 8.353 1.00 25.04 H new ATOM 0 HG21 VAL A 114 4.019 4.640 6.945 1.00 41.10 H new ATOM 0 HG22 VAL A 114 3.338 5.362 8.423 1.00 41.10 H new ATOM 0 HG23 VAL A 114 2.318 5.162 6.979 1.00 41.10 H new ATOM 1649 N PRO A 115 3.940 9.744 6.425 1.00 44.35 N ATOM 1650 CA PRO A 115 4.678 11.011 6.421 1.00 61.04 C ATOM 1651 C PRO A 115 3.806 12.191 6.836 1.00 61.03 C ATOM 1652 O PRO A 115 4.286 13.145 7.450 1.00 33.22 O ATOM 1653 CB PRO A 115 5.120 11.160 4.963 1.00 61.54 C ATOM 1654 CG PRO A 115 4.123 10.374 4.183 1.00 64.43 C ATOM 1655 CD PRO A 115 3.721 9.224 5.065 1.00 52.15 C ATOM 0 HA PRO A 115 5.504 11.004 7.132 1.00 61.04 H new ATOM 0 HB2 PRO A 115 5.127 12.206 4.656 1.00 61.54 H new ATOM 0 HB3 PRO A 115 6.130 10.777 4.814 1.00 61.54 H new ATOM 0 HG2 PRO A 115 3.260 10.987 3.923 1.00 64.43 H new ATOM 0 HG3 PRO A 115 4.553 10.017 3.248 1.00 64.43 H new ATOM 0 HD2 PRO A 115 2.681 8.940 4.906 1.00 52.15 H new ATOM 0 HD3 PRO A 115 4.326 8.338 4.871 1.00 52.15 H new ATOM 1663 N LEU A 116 2.523 12.121 6.497 1.00 24.42 N ATOM 1664 CA LEU A 116 1.583 13.184 6.836 1.00 64.44 C ATOM 1665 C LEU A 116 1.386 13.276 8.345 1.00 21.13 C ATOM 1666 O LEU A 116 1.449 14.360 8.926 1.00 53.10 O ATOM 1667 CB LEU A 116 0.239 12.940 6.148 1.00 12.21 C ATOM 1668 CG LEU A 116 -0.313 14.103 5.322 1.00 20.22 C ATOM 1669 CD1 LEU A 116 -0.616 15.296 6.216 1.00 63.24 C ATOM 1670 CD2 LEU A 116 0.668 14.491 4.226 1.00 61.14 C ATOM 0 H LEU A 116 2.110 11.340 5.988 1.00 24.42 H new ATOM 0 HA LEU A 116 1.998 14.129 6.485 1.00 64.44 H new ATOM 0 HB2 LEU A 116 0.340 12.073 5.496 1.00 12.21 H new ATOM 0 HB3 LEU A 116 -0.495 12.682 6.911 1.00 12.21 H new ATOM 0 HG LEU A 116 -1.243 13.782 4.853 1.00 20.22 H new ATOM 0 HD11 LEU A 116 -1.008 16.114 5.611 1.00 63.24 H new ATOM 0 HD12 LEU A 116 -1.356 15.011 6.964 1.00 63.24 H new ATOM 0 HD13 LEU A 116 0.298 15.619 6.714 1.00 63.24 H new ATOM 0 HD21 LEU A 116 0.259 15.320 3.648 1.00 61.14 H new ATOM 0 HD22 LEU A 116 1.614 14.794 4.675 1.00 61.14 H new ATOM 0 HD23 LEU A 116 0.835 13.638 3.568 1.00 61.14 H new ATOM 1682 N THR A 117 1.149 12.130 8.977 1.00 4.43 N ATOM 1683 CA THR A 117 0.944 12.081 10.419 1.00 3.33 C ATOM 1684 C THR A 117 2.112 11.393 11.118 1.00 55.24 C ATOM 1685 O THR A 117 1.942 10.347 11.743 1.00 63.45 O ATOM 1686 CB THR A 117 -0.360 11.344 10.776 1.00 21.54 C ATOM 1687 OG1 THR A 117 -0.421 10.092 10.083 1.00 43.34 O ATOM 1688 CG2 THR A 117 -1.574 12.187 10.419 1.00 52.14 C ATOM 0 H THR A 117 1.094 11.224 8.512 1.00 4.43 H new ATOM 0 HA THR A 117 0.875 13.113 10.764 1.00 3.33 H new ATOM 0 HB THR A 117 -0.367 11.164 11.851 1.00 21.54 H new ATOM 0 HG1 THR A 117 -0.064 10.202 9.177 1.00 43.34 H new ATOM 0 HG21 THR A 117 -2.483 11.645 10.681 1.00 52.14 H new ATOM 0 HG22 THR A 117 -1.540 13.126 10.971 1.00 52.14 H new ATOM 0 HG23 THR A 117 -1.571 12.395 9.349 1.00 52.14 H new ATOM 1696 N GLN A 118 3.295 11.988 11.008 1.00 51.24 N ATOM 1697 CA GLN A 118 4.490 11.431 11.629 1.00 3.04 C ATOM 1698 C GLN A 118 4.610 11.883 13.081 1.00 32.11 C ATOM 1699 O GLN A 118 4.641 13.079 13.369 1.00 31.40 O ATOM 1700 CB GLN A 118 5.738 11.847 10.849 1.00 42.51 C ATOM 1701 CG GLN A 118 5.951 13.352 10.799 1.00 31.23 C ATOM 1702 CD GLN A 118 7.069 13.752 9.857 1.00 53.51 C ATOM 1703 OE1 GLN A 118 6.835 14.030 8.680 1.00 13.03 O ATOM 1704 NE2 GLN A 118 8.293 13.785 10.370 1.00 30.01 N ATOM 0 H GLN A 118 3.451 12.855 10.495 1.00 51.24 H new ATOM 0 HA GLN A 118 4.405 10.344 11.611 1.00 3.04 H new ATOM 0 HB2 GLN A 118 6.612 11.380 11.302 1.00 42.51 H new ATOM 0 HB3 GLN A 118 5.664 11.465 9.831 1.00 42.51 H new ATOM 0 HG2 GLN A 118 5.026 13.836 10.485 1.00 31.23 H new ATOM 0 HG3 GLN A 118 6.177 13.717 11.801 1.00 31.23 H new ATOM 0 HE21 GLN A 118 8.442 13.547 11.351 1.00 30.01 H new ATOM 0 HE22 GLN A 118 9.085 14.048 9.783 1.00 30.01 H new ATOM 1713 N GLY A 119 4.676 10.917 13.993 1.00 1.40 N ATOM 1714 CA GLY A 119 4.791 11.236 15.404 1.00 12.41 C ATOM 1715 C GLY A 119 3.569 10.814 16.195 1.00 30.43 C ATOM 1716 O GLY A 119 3.688 10.300 17.308 1.00 50.01 O ATOM 0 H GLY A 119 4.652 9.920 13.780 1.00 1.40 H new ATOM 0 HA2 GLY A 119 5.673 10.744 15.814 1.00 12.41 H new ATOM 0 HA3 GLY A 119 4.942 12.309 15.520 1.00 12.41 H new ATOM 1720 N PHE A 120 2.390 11.031 15.622 1.00 62.04 N ATOM 1721 CA PHE A 120 1.141 10.671 16.282 1.00 53.22 C ATOM 1722 C PHE A 120 0.964 9.156 16.324 1.00 4.10 C ATOM 1723 O PHE A 120 1.198 8.466 15.332 1.00 5.50 O ATOM 1724 CB PHE A 120 -0.046 11.314 15.560 1.00 4.12 C ATOM 1725 CG PHE A 120 0.168 12.764 15.230 1.00 34.22 C ATOM 1726 CD1 PHE A 120 0.689 13.633 16.174 1.00 3.43 C ATOM 1727 CD2 PHE A 120 -0.154 13.257 13.976 1.00 32.00 C ATOM 1728 CE1 PHE A 120 0.887 14.968 15.874 1.00 41.02 C ATOM 1729 CE2 PHE A 120 0.042 14.590 13.670 1.00 53.43 C ATOM 1730 CZ PHE A 120 0.562 15.447 14.620 1.00 12.20 C ATOM 0 H PHE A 120 2.273 11.455 14.701 1.00 62.04 H new ATOM 0 HA PHE A 120 1.180 11.043 17.306 1.00 53.22 H new ATOM 0 HB2 PHE A 120 -0.242 10.765 14.639 1.00 4.12 H new ATOM 0 HB3 PHE A 120 -0.935 11.219 16.183 1.00 4.12 H new ATOM 0 HD1 PHE A 120 0.944 13.263 17.156 1.00 3.43 H new ATOM 0 HD2 PHE A 120 -0.563 12.592 13.229 1.00 32.00 H new ATOM 0 HE1 PHE A 120 1.295 15.635 16.619 1.00 41.02 H new ATOM 0 HE2 PHE A 120 -0.211 14.962 12.688 1.00 53.43 H new ATOM 0 HZ PHE A 120 0.714 16.490 14.383 1.00 12.20 H new ATOM 1740 N GLN A 121 0.551 8.646 17.480 1.00 50.52 N ATOM 1741 CA GLN A 121 0.345 7.213 17.652 1.00 53.31 C ATOM 1742 C GLN A 121 -0.779 6.713 16.750 1.00 12.04 C ATOM 1743 O GLN A 121 -1.955 6.801 17.100 1.00 13.45 O ATOM 1744 CB GLN A 121 0.023 6.895 19.113 1.00 74.10 C ATOM 1745 CG GLN A 121 1.255 6.757 19.992 1.00 64.34 C ATOM 1746 CD GLN A 121 2.279 7.845 19.736 1.00 1.32 C ATOM 1747 OE1 GLN A 121 3.315 7.606 19.115 1.00 51.03 O ATOM 1748 NE2 GLN A 121 1.994 9.050 20.215 1.00 2.45 N ATOM 0 H GLN A 121 0.353 9.204 18.311 1.00 50.52 H new ATOM 0 HA GLN A 121 1.266 6.702 17.371 1.00 53.31 H new ATOM 0 HB2 GLN A 121 -0.614 7.683 19.516 1.00 74.10 H new ATOM 0 HB3 GLN A 121 -0.550 5.969 19.157 1.00 74.10 H new ATOM 0 HG2 GLN A 121 0.954 6.785 21.039 1.00 64.34 H new ATOM 0 HG3 GLN A 121 1.714 5.784 19.818 1.00 64.34 H new ATOM 0 HE21 GLN A 121 1.124 9.204 20.724 1.00 2.45 H new ATOM 0 HE22 GLN A 121 2.645 9.822 20.074 1.00 2.45 H new ATOM 1757 N GLY A 122 -0.408 6.187 15.587 1.00 54.22 N ATOM 1758 CA GLY A 122 -1.397 5.681 14.653 1.00 51.12 C ATOM 1759 C GLY A 122 -1.667 4.201 14.840 1.00 51.33 C ATOM 1760 O GLY A 122 -0.784 3.370 14.623 1.00 15.51 O ATOM 0 H GLY A 122 0.559 6.102 15.275 1.00 54.22 H new ATOM 0 HA2 GLY A 122 -2.327 6.235 14.778 1.00 51.12 H new ATOM 0 HA3 GLY A 122 -1.054 5.859 13.634 1.00 51.12 H new ATOM 1764 N ILE A 123 -2.889 3.871 15.244 1.00 21.13 N ATOM 1765 CA ILE A 123 -3.272 2.481 15.461 1.00 44.21 C ATOM 1766 C ILE A 123 -4.598 2.163 14.778 1.00 4.41 C ATOM 1767 O ILE A 123 -5.531 2.965 14.811 1.00 62.12 O ATOM 1768 CB ILE A 123 -3.389 2.157 16.962 1.00 54.11 C ATOM 1769 CG1 ILE A 123 -2.153 2.656 17.712 1.00 22.12 C ATOM 1770 CG2 ILE A 123 -3.573 0.661 17.168 1.00 61.12 C ATOM 1771 CD1 ILE A 123 -2.327 4.032 18.316 1.00 24.23 C ATOM 0 H ILE A 123 -3.631 4.547 15.428 1.00 21.13 H new ATOM 0 HA ILE A 123 -2.485 1.865 15.025 1.00 44.21 H new ATOM 0 HB ILE A 123 -4.264 2.669 17.362 1.00 54.11 H new ATOM 0 HG12 ILE A 123 -1.909 1.949 18.504 1.00 22.12 H new ATOM 0 HG13 ILE A 123 -1.305 2.673 17.027 1.00 22.12 H new ATOM 0 HG21 ILE A 123 -3.654 0.448 18.234 1.00 61.12 H new ATOM 0 HG22 ILE A 123 -4.481 0.333 16.662 1.00 61.12 H new ATOM 0 HG23 ILE A 123 -2.716 0.129 16.756 1.00 61.12 H new ATOM 0 HD11 ILE A 123 -1.412 4.321 18.832 1.00 24.23 H new ATOM 0 HD12 ILE A 123 -2.541 4.752 17.526 1.00 24.23 H new ATOM 0 HD13 ILE A 123 -3.154 4.016 19.026 1.00 24.23 H new ATOM 1783 N GLN A 124 -4.673 0.988 14.162 1.00 41.20 N ATOM 1784 CA GLN A 124 -5.886 0.564 13.472 1.00 5.13 C ATOM 1785 C GLN A 124 -6.626 -0.499 14.277 1.00 62.21 C ATOM 1786 O GLN A 124 -6.111 -1.595 14.497 1.00 72.22 O ATOM 1787 CB GLN A 124 -5.545 0.024 12.083 1.00 64.54 C ATOM 1788 CG GLN A 124 -4.372 -0.944 12.077 1.00 42.42 C ATOM 1789 CD GLN A 124 -4.390 -1.876 10.881 1.00 3.52 C ATOM 1790 OE1 GLN A 124 -5.397 -1.987 10.182 1.00 60.52 O ATOM 1791 NE2 GLN A 124 -3.272 -2.551 10.640 1.00 51.32 N ATOM 0 H GLN A 124 -3.909 0.313 14.126 1.00 41.20 H new ATOM 0 HA GLN A 124 -6.537 1.432 13.366 1.00 5.13 H new ATOM 0 HB2 GLN A 124 -6.421 -0.478 11.672 1.00 64.54 H new ATOM 0 HB3 GLN A 124 -5.318 0.861 11.423 1.00 64.54 H new ATOM 0 HG2 GLN A 124 -3.440 -0.379 12.079 1.00 42.42 H new ATOM 0 HG3 GLN A 124 -4.388 -1.534 12.993 1.00 42.42 H new ATOM 0 HE21 GLN A 124 -2.461 -2.428 11.246 1.00 51.32 H new ATOM 0 HE22 GLN A 124 -3.224 -3.193 9.849 1.00 51.32 H new ATOM 1800 N ALA A 125 -7.836 -0.167 14.714 1.00 32.40 N ATOM 1801 CA ALA A 125 -8.648 -1.094 15.493 1.00 62.42 C ATOM 1802 C ALA A 125 -10.134 -0.873 15.234 1.00 33.43 C ATOM 1803 O ALA A 125 -10.616 0.259 15.254 1.00 65.44 O ATOM 1804 CB ALA A 125 -8.340 -0.948 16.976 1.00 55.53 C ATOM 0 H ALA A 125 -8.276 0.737 14.542 1.00 32.40 H new ATOM 0 HA ALA A 125 -8.399 -2.108 15.180 1.00 62.42 H new ATOM 0 HB1 ALA A 125 -8.954 -1.646 17.545 1.00 55.53 H new ATOM 0 HB2 ALA A 125 -7.286 -1.164 17.152 1.00 55.53 H new ATOM 0 HB3 ALA A 125 -8.559 0.071 17.295 1.00 55.53 H new ATOM 1810 N ASN A 126 -10.856 -1.963 14.992 1.00 55.52 N ATOM 1811 CA ASN A 126 -12.289 -1.887 14.728 1.00 42.20 C ATOM 1812 C ASN A 126 -13.091 -2.256 15.972 1.00 73.32 C ATOM 1813 O ASN A 126 -12.602 -2.967 16.850 1.00 13.02 O ATOM 1814 CB ASN A 126 -12.665 -2.814 13.571 1.00 40.05 C ATOM 1815 CG ASN A 126 -12.861 -4.249 14.020 1.00 64.25 C ATOM 1816 OD1 ASN A 126 -11.895 -4.967 14.280 1.00 1.25 O ATOM 1817 ND2 ASN A 126 -14.115 -4.674 14.111 1.00 33.53 N ATOM 0 H ASN A 126 -10.473 -2.908 14.973 1.00 55.52 H new ATOM 0 HA ASN A 126 -12.529 -0.860 14.454 1.00 42.20 H new ATOM 0 HB2 ASN A 126 -13.582 -2.454 13.104 1.00 40.05 H new ATOM 0 HB3 ASN A 126 -11.884 -2.777 12.811 1.00 40.05 H new ATOM 0 HD21 ASN A 126 -14.309 -5.631 14.406 1.00 33.53 H new ATOM 0 HD22 ASN A 126 -14.885 -4.044 13.886 1.00 33.53 H new ATOM 1824 N ASP A 127 -14.326 -1.770 16.039 1.00 44.32 N ATOM 1825 CA ASP A 127 -15.197 -2.050 17.174 1.00 54.22 C ATOM 1826 C ASP A 127 -14.625 -1.457 18.458 1.00 71.23 C ATOM 1827 O ASP A 127 -13.750 -0.593 18.418 1.00 51.11 O ATOM 1828 CB ASP A 127 -15.391 -3.558 17.336 1.00 62.35 C ATOM 1829 CG ASP A 127 -16.820 -3.925 17.684 1.00 1.33 C ATOM 1830 OD1 ASP A 127 -17.660 -3.979 16.762 1.00 21.41 O ATOM 1831 OD2 ASP A 127 -17.099 -4.156 18.880 1.00 43.13 O ATOM 0 H ASP A 127 -14.746 -1.180 15.320 1.00 44.32 H new ATOM 0 HA ASP A 127 -16.164 -1.586 16.981 1.00 54.22 H new ATOM 0 HB2 ASP A 127 -15.105 -4.059 16.411 1.00 62.35 H new ATOM 0 HB3 ASP A 127 -14.725 -3.925 18.117 1.00 62.35 H new ATOM 1836 N ALA A 128 -15.126 -1.928 19.595 1.00 13.42 N ATOM 1837 CA ALA A 128 -14.664 -1.445 20.891 1.00 74.12 C ATOM 1838 C ALA A 128 -13.146 -1.534 21.000 1.00 10.50 C ATOM 1839 O ALA A 128 -12.523 -0.783 21.751 1.00 14.03 O ATOM 1840 CB ALA A 128 -15.323 -2.234 22.013 1.00 11.40 C ATOM 0 H ALA A 128 -15.852 -2.643 19.645 1.00 13.42 H new ATOM 0 HA ALA A 128 -14.948 -0.397 20.983 1.00 74.12 H new ATOM 0 HB1 ALA A 128 -14.969 -1.863 22.975 1.00 11.40 H new ATOM 0 HB2 ALA A 128 -16.405 -2.116 21.954 1.00 11.40 H new ATOM 0 HB3 ALA A 128 -15.067 -3.289 21.915 1.00 11.40 H new ATOM 1846 N SER A 129 -12.556 -2.456 20.246 1.00 2.43 N ATOM 1847 CA SER A 129 -11.110 -2.645 20.262 1.00 30.12 C ATOM 1848 C SER A 129 -10.390 -1.365 19.848 1.00 21.34 C ATOM 1849 O SER A 129 -9.215 -1.173 20.157 1.00 23.24 O ATOM 1850 CB SER A 129 -10.714 -3.791 19.329 1.00 53.11 C ATOM 1851 OG SER A 129 -9.681 -4.577 19.896 1.00 23.04 O ATOM 0 H SER A 129 -13.057 -3.084 19.617 1.00 2.43 H new ATOM 0 HA SER A 129 -10.812 -2.895 21.280 1.00 30.12 H new ATOM 0 HB2 SER A 129 -11.583 -4.417 19.128 1.00 53.11 H new ATOM 0 HB3 SER A 129 -10.384 -3.387 18.372 1.00 53.11 H new ATOM 0 HG SER A 129 -9.448 -5.303 19.281 1.00 23.04 H new ATOM 1857 N GLY A 130 -11.105 -0.492 19.146 1.00 12.42 N ATOM 1858 CA GLY A 130 -10.519 0.759 18.701 1.00 52.13 C ATOM 1859 C GLY A 130 -10.890 1.925 19.596 1.00 22.53 C ATOM 1860 O GLY A 130 -10.768 3.085 19.200 1.00 35.44 O ATOM 0 H GLY A 130 -12.079 -0.628 18.877 1.00 12.42 H new ATOM 0 HA2 GLY A 130 -9.434 0.658 18.672 1.00 52.13 H new ATOM 0 HA3 GLY A 130 -10.847 0.968 17.683 1.00 52.13 H new ATOM 1864 N LEU A 131 -11.344 1.618 20.806 1.00 34.52 N ATOM 1865 CA LEU A 131 -11.736 2.649 21.761 1.00 61.22 C ATOM 1866 C LEU A 131 -11.150 2.365 23.140 1.00 31.42 C ATOM 1867 O LEU A 131 -11.638 2.873 24.150 1.00 52.14 O ATOM 1868 CB LEU A 131 -13.260 2.737 21.850 1.00 75.41 C ATOM 1869 CG LEU A 131 -14.021 2.559 20.535 1.00 20.03 C ATOM 1870 CD1 LEU A 131 -15.510 2.398 20.798 1.00 73.13 C ATOM 1871 CD2 LEU A 131 -13.765 3.738 19.608 1.00 55.02 C ATOM 0 H LEU A 131 -11.450 0.663 21.149 1.00 34.52 H new ATOM 0 HA LEU A 131 -11.343 3.603 21.409 1.00 61.22 H new ATOM 0 HB2 LEU A 131 -13.607 1.980 22.553 1.00 75.41 H new ATOM 0 HB3 LEU A 131 -13.524 3.707 22.271 1.00 75.41 H new ATOM 0 HG LEU A 131 -13.660 1.654 20.047 1.00 20.03 H new ATOM 0 HD11 LEU A 131 -16.035 2.273 19.851 1.00 73.13 H new ATOM 0 HD12 LEU A 131 -15.676 1.521 21.424 1.00 73.13 H new ATOM 0 HD13 LEU A 131 -15.887 3.285 21.308 1.00 73.13 H new ATOM 0 HD21 LEU A 131 -14.314 3.595 18.677 1.00 55.02 H new ATOM 0 HD22 LEU A 131 -14.099 4.658 20.088 1.00 55.02 H new ATOM 0 HD23 LEU A 131 -12.699 3.807 19.393 1.00 55.02 H new ATOM 1883 N ASP A 132 -10.100 1.551 23.175 1.00 13.41 N ATOM 1884 CA ASP A 132 -9.445 1.202 24.430 1.00 11.23 C ATOM 1885 C ASP A 132 -8.594 2.361 24.940 1.00 50.11 C ATOM 1886 O ASP A 132 -7.535 2.657 24.387 1.00 43.23 O ATOM 1887 CB ASP A 132 -8.576 -0.043 24.247 1.00 33.25 C ATOM 1888 CG ASP A 132 -9.230 -1.292 24.806 1.00 62.14 C ATOM 1889 OD1 ASP A 132 -9.576 -1.294 26.005 1.00 33.41 O ATOM 1890 OD2 ASP A 132 -9.394 -2.268 24.043 1.00 0.30 O ATOM 0 H ASP A 132 -9.685 1.121 22.349 1.00 13.41 H new ATOM 0 HA ASP A 132 -10.218 0.991 25.168 1.00 11.23 H new ATOM 0 HB2 ASP A 132 -8.371 -0.187 23.186 1.00 33.25 H new ATOM 0 HB3 ASP A 132 -7.616 0.112 24.739 1.00 33.25 H new ATOM 1895 N PHE A 133 -9.065 3.014 25.997 1.00 1.21 N ATOM 1896 CA PHE A 133 -8.348 4.142 26.580 1.00 12.43 C ATOM 1897 C PHE A 133 -6.962 3.719 27.057 1.00 60.53 C ATOM 1898 O PHE A 133 -5.994 4.467 26.925 1.00 31.14 O ATOM 1899 CB PHE A 133 -9.143 4.730 27.748 1.00 54.52 C ATOM 1900 CG PHE A 133 -9.686 6.104 27.472 1.00 21.32 C ATOM 1901 CD1 PHE A 133 -10.805 6.273 26.674 1.00 55.33 C ATOM 1902 CD2 PHE A 133 -9.077 7.225 28.012 1.00 23.11 C ATOM 1903 CE1 PHE A 133 -11.306 7.536 26.418 1.00 31.20 C ATOM 1904 CE2 PHE A 133 -9.573 8.490 27.760 1.00 11.12 C ATOM 1905 CZ PHE A 133 -10.690 8.645 26.963 1.00 41.51 C ATOM 0 H PHE A 133 -9.940 2.782 26.467 1.00 1.21 H new ATOM 0 HA PHE A 133 -8.231 4.903 25.808 1.00 12.43 H new ATOM 0 HB2 PHE A 133 -9.971 4.062 27.987 1.00 54.52 H new ATOM 0 HB3 PHE A 133 -8.502 4.771 28.629 1.00 54.52 H new ATOM 0 HD1 PHE A 133 -11.292 5.409 26.247 1.00 55.33 H new ATOM 0 HD2 PHE A 133 -8.204 7.109 28.637 1.00 23.11 H new ATOM 0 HE1 PHE A 133 -12.178 7.655 25.792 1.00 31.20 H new ATOM 0 HE2 PHE A 133 -9.088 9.356 28.186 1.00 11.12 H new ATOM 0 HZ PHE A 133 -11.081 9.632 26.766 1.00 41.51 H new ATOM 1915 N GLU A 134 -6.876 2.513 27.611 1.00 50.13 N ATOM 1916 CA GLU A 134 -5.609 1.990 28.108 1.00 41.30 C ATOM 1917 C GLU A 134 -4.592 1.863 26.978 1.00 63.04 C ATOM 1918 O GLU A 134 -3.403 2.119 27.167 1.00 12.13 O ATOM 1919 CB GLU A 134 -5.820 0.629 28.775 1.00 43.42 C ATOM 1920 CG GLU A 134 -5.240 0.542 30.176 1.00 24.14 C ATOM 1921 CD GLU A 134 -5.829 -0.600 30.981 1.00 23.24 C ATOM 1922 OE1 GLU A 134 -6.174 -1.636 30.375 1.00 25.42 O ATOM 1923 OE2 GLU A 134 -5.945 -0.458 32.216 1.00 31.24 O ATOM 0 H GLU A 134 -7.668 1.881 27.727 1.00 50.13 H new ATOM 0 HA GLU A 134 -5.220 2.692 28.846 1.00 41.30 H new ATOM 0 HB2 GLU A 134 -6.888 0.417 28.819 1.00 43.42 H new ATOM 0 HB3 GLU A 134 -5.367 -0.144 28.155 1.00 43.42 H new ATOM 0 HG2 GLU A 134 -4.159 0.416 30.111 1.00 24.14 H new ATOM 0 HG3 GLU A 134 -5.420 1.481 30.699 1.00 24.14 H new ATOM 1930 N GLU A 135 -5.069 1.465 25.802 1.00 24.03 N ATOM 1931 CA GLU A 135 -4.201 1.302 24.642 1.00 45.20 C ATOM 1932 C GLU A 135 -3.655 2.650 24.177 1.00 34.41 C ATOM 1933 O GLU A 135 -2.473 2.775 23.857 1.00 51.43 O ATOM 1934 CB GLU A 135 -4.961 0.626 23.499 1.00 23.44 C ATOM 1935 CG GLU A 135 -4.075 0.228 22.330 1.00 11.15 C ATOM 1936 CD GLU A 135 -4.664 -0.903 21.511 1.00 72.34 C ATOM 1937 OE1 GLU A 135 -5.905 -0.961 21.384 1.00 70.41 O ATOM 1938 OE2 GLU A 135 -3.883 -1.731 20.995 1.00 13.33 O ATOM 0 H GLU A 135 -6.051 1.250 25.628 1.00 24.03 H new ATOM 0 HA GLU A 135 -3.362 0.671 24.934 1.00 45.20 H new ATOM 0 HB2 GLU A 135 -5.462 -0.262 23.883 1.00 23.44 H new ATOM 0 HB3 GLU A 135 -5.738 1.301 23.141 1.00 23.44 H new ATOM 0 HG2 GLU A 135 -3.918 1.094 21.687 1.00 11.15 H new ATOM 0 HG3 GLU A 135 -3.097 -0.072 22.706 1.00 11.15 H new ATOM 1945 N ILE A 136 -4.526 3.653 24.143 1.00 44.15 N ATOM 1946 CA ILE A 136 -4.132 4.991 23.718 1.00 60.44 C ATOM 1947 C ILE A 136 -3.096 5.586 24.665 1.00 65.42 C ATOM 1948 O ILE A 136 -2.078 6.124 24.229 1.00 52.40 O ATOM 1949 CB ILE A 136 -5.345 5.937 23.642 1.00 63.13 C ATOM 1950 CG1 ILE A 136 -6.418 5.353 22.721 1.00 34.45 C ATOM 1951 CG2 ILE A 136 -4.914 7.312 23.155 1.00 4.41 C ATOM 1952 CD1 ILE A 136 -5.941 5.125 21.304 1.00 10.42 C ATOM 0 H ILE A 136 -5.508 3.565 24.404 1.00 44.15 H new ATOM 0 HA ILE A 136 -3.696 4.891 22.724 1.00 60.44 H new ATOM 0 HB ILE A 136 -5.768 6.042 24.641 1.00 63.13 H new ATOM 0 HG12 ILE A 136 -6.765 4.406 23.135 1.00 34.45 H new ATOM 0 HG13 ILE A 136 -7.275 6.026 22.703 1.00 34.45 H new ATOM 0 HG21 ILE A 136 -5.782 7.969 23.106 1.00 4.41 H new ATOM 0 HG22 ILE A 136 -4.181 7.729 23.845 1.00 4.41 H new ATOM 0 HG23 ILE A 136 -4.470 7.224 22.164 1.00 4.41 H new ATOM 0 HD11 ILE A 136 -6.754 4.710 20.709 1.00 10.42 H new ATOM 0 HD12 ILE A 136 -5.621 6.073 20.871 1.00 10.42 H new ATOM 0 HD13 ILE A 136 -5.103 4.428 21.310 1.00 10.42 H new ATOM 1964 N SER A 137 -3.360 5.483 25.963 1.00 34.52 N ATOM 1965 CA SER A 137 -2.452 6.012 26.973 1.00 5.21 C ATOM 1966 C SER A 137 -1.104 5.299 26.918 1.00 3.53 C ATOM 1967 O SER A 137 -0.053 5.924 27.060 1.00 5.41 O ATOM 1968 CB SER A 137 -3.063 5.864 28.368 1.00 50.53 C ATOM 1969 OG SER A 137 -3.849 6.995 28.702 1.00 34.11 O ATOM 0 H SER A 137 -4.196 5.037 26.340 1.00 34.52 H new ATOM 0 HA SER A 137 -2.293 7.070 26.764 1.00 5.21 H new ATOM 0 HB2 SER A 137 -3.679 4.965 28.406 1.00 50.53 H new ATOM 0 HB3 SER A 137 -2.270 5.738 29.105 1.00 50.53 H new ATOM 0 HG SER A 137 -4.230 6.876 29.597 1.00 34.11 H new ATOM 1975 N ARG A 138 -1.143 3.987 26.712 1.00 53.22 N ATOM 1976 CA ARG A 138 0.074 3.188 26.639 1.00 11.13 C ATOM 1977 C ARG A 138 0.899 3.565 25.413 1.00 64.24 C ATOM 1978 O ARG A 138 2.130 3.577 25.458 1.00 13.02 O ATOM 1979 CB ARG A 138 -0.271 1.698 26.598 1.00 45.14 C ATOM 1980 CG ARG A 138 0.924 0.805 26.307 1.00 62.33 C ATOM 1981 CD ARG A 138 2.037 1.015 27.322 1.00 60.34 C ATOM 1982 NE ARG A 138 2.505 -0.247 27.890 1.00 41.34 N ATOM 1983 CZ ARG A 138 3.353 -0.324 28.909 1.00 12.13 C ATOM 1984 NH1 ARG A 138 3.822 0.782 29.470 1.00 24.25 N ATOM 1985 NH2 ARG A 138 3.732 -1.509 29.370 1.00 30.02 N ATOM 0 H ARG A 138 -2.005 3.454 26.593 1.00 53.22 H new ATOM 0 HA ARG A 138 0.667 3.392 27.530 1.00 11.13 H new ATOM 0 HB2 ARG A 138 -0.707 1.408 27.554 1.00 45.14 H new ATOM 0 HB3 ARG A 138 -1.033 1.531 25.837 1.00 45.14 H new ATOM 0 HG2 ARG A 138 0.611 -0.239 26.320 1.00 62.33 H new ATOM 0 HG3 ARG A 138 1.300 1.013 25.305 1.00 62.33 H new ATOM 0 HD2 ARG A 138 2.871 1.529 26.844 1.00 60.34 H new ATOM 0 HD3 ARG A 138 1.680 1.663 28.123 1.00 60.34 H new ATOM 0 HE ARG A 138 2.162 -1.116 27.482 1.00 41.34 H new ATOM 0 HH11 ARG A 138 3.532 1.695 29.119 1.00 24.25 H new ATOM 0 HH12 ARG A 138 4.473 0.720 30.253 1.00 24.25 H new ATOM 0 HH21 ARG A 138 3.372 -2.362 28.942 1.00 30.02 H new ATOM 0 HH22 ARG A 138 4.383 -1.567 30.153 1.00 30.02 H new ATOM 1999 N LYS A 139 0.214 3.871 24.316 1.00 2.22 N ATOM 2000 CA LYS A 139 0.882 4.249 23.076 1.00 3.25 C ATOM 2001 C LYS A 139 1.579 5.598 23.223 1.00 2.03 C ATOM 2002 O LYS A 139 2.747 5.747 22.864 1.00 24.25 O ATOM 2003 CB LYS A 139 -0.126 4.307 21.927 1.00 70.43 C ATOM 2004 CG LYS A 139 0.378 3.670 20.643 1.00 22.02 C ATOM 2005 CD LYS A 139 0.253 2.156 20.685 1.00 1.20 C ATOM 2006 CE LYS A 139 0.510 1.538 19.319 1.00 32.23 C ATOM 2007 NZ LYS A 139 1.822 0.836 19.266 1.00 21.11 N ATOM 0 H LYS A 139 -0.804 3.865 24.261 1.00 2.22 H new ATOM 0 HA LYS A 139 1.635 3.493 22.853 1.00 3.25 H new ATOM 0 HB2 LYS A 139 -1.044 3.807 22.235 1.00 70.43 H new ATOM 0 HB3 LYS A 139 -0.381 5.348 21.730 1.00 70.43 H new ATOM 0 HG2 LYS A 139 -0.187 4.059 19.796 1.00 22.02 H new ATOM 0 HG3 LYS A 139 1.420 3.946 20.484 1.00 22.02 H new ATOM 0 HD2 LYS A 139 0.961 1.751 21.408 1.00 1.20 H new ATOM 0 HD3 LYS A 139 -0.745 1.881 21.028 1.00 1.20 H new ATOM 0 HE2 LYS A 139 -0.288 0.834 19.083 1.00 32.23 H new ATOM 0 HE3 LYS A 139 0.484 2.317 18.557 1.00 32.23 H new ATOM 0 HZ1 LYS A 139 1.960 0.429 18.319 1.00 21.11 H new ATOM 0 HZ2 LYS A 139 2.586 1.513 19.466 1.00 21.11 H new ATOM 0 HZ3 LYS A 139 1.838 0.076 19.976 1.00 21.11 H new ATOM 2021 N VAL A 140 0.855 6.578 23.754 1.00 4.45 N ATOM 2022 CA VAL A 140 1.405 7.914 23.951 1.00 2.33 C ATOM 2023 C VAL A 140 2.493 7.909 25.019 1.00 21.03 C ATOM 2024 O VAL A 140 3.498 8.610 24.902 1.00 40.54 O ATOM 2025 CB VAL A 140 0.309 8.918 24.355 1.00 3.44 C ATOM 2026 CG1 VAL A 140 -0.696 9.095 23.227 1.00 24.13 C ATOM 2027 CG2 VAL A 140 -0.384 8.465 25.632 1.00 45.14 C ATOM 0 H VAL A 140 -0.114 6.472 24.055 1.00 4.45 H new ATOM 0 HA VAL A 140 1.837 8.222 22.999 1.00 2.33 H new ATOM 0 HB VAL A 140 0.778 9.883 24.546 1.00 3.44 H new ATOM 0 HG11 VAL A 140 -1.462 9.808 23.531 1.00 24.13 H new ATOM 0 HG12 VAL A 140 -0.185 9.468 22.340 1.00 24.13 H new ATOM 0 HG13 VAL A 140 -1.162 8.136 23.001 1.00 24.13 H new ATOM 0 HG21 VAL A 140 -1.155 9.186 25.903 1.00 45.14 H new ATOM 0 HG22 VAL A 140 -0.841 7.488 25.471 1.00 45.14 H new ATOM 0 HG23 VAL A 140 0.347 8.396 26.438 1.00 45.14 H new ATOM 2037 N LYS A 141 2.286 7.112 26.062 1.00 5.34 N ATOM 2038 CA LYS A 141 3.250 7.013 27.152 1.00 32.34 C ATOM 2039 C LYS A 141 4.593 6.497 26.646 1.00 42.41 C ATOM 2040 O LYS A 141 5.648 6.910 27.127 1.00 24.33 O ATOM 2041 CB LYS A 141 2.717 6.087 28.248 1.00 11.14 C ATOM 2042 CG LYS A 141 3.606 6.026 29.479 1.00 52.54 C ATOM 2043 CD LYS A 141 2.804 5.713 30.731 1.00 42.12 C ATOM 2044 CE LYS A 141 2.966 4.259 31.147 1.00 5.22 C ATOM 2045 NZ LYS A 141 1.857 3.408 30.635 1.00 41.35 N ATOM 0 H LYS A 141 1.459 6.525 26.176 1.00 5.34 H new ATOM 0 HA LYS A 141 3.397 8.011 27.566 1.00 32.34 H new ATOM 0 HB2 LYS A 141 1.723 6.423 28.544 1.00 11.14 H new ATOM 0 HB3 LYS A 141 2.606 5.082 27.841 1.00 11.14 H new ATOM 0 HG2 LYS A 141 4.373 5.265 29.337 1.00 52.54 H new ATOM 0 HG3 LYS A 141 4.121 6.978 29.604 1.00 52.54 H new ATOM 0 HD2 LYS A 141 3.127 6.363 31.544 1.00 42.12 H new ATOM 0 HD3 LYS A 141 1.750 5.926 30.552 1.00 42.12 H new ATOM 0 HE2 LYS A 141 3.917 3.879 30.774 1.00 5.22 H new ATOM 0 HE3 LYS A 141 3.001 4.194 32.235 1.00 5.22 H new ATOM 0 HZ1 LYS A 141 2.005 2.425 30.940 1.00 41.35 H new ATOM 0 HZ2 LYS A 141 0.951 3.755 31.011 1.00 41.35 H new ATOM 0 HZ3 LYS A 141 1.839 3.449 29.596 1.00 41.35 H new ATOM 2059 N SER A 142 4.546 5.595 25.671 1.00 23.01 N ATOM 2060 CA SER A 142 5.760 5.022 25.101 1.00 70.10 C ATOM 2061 C SER A 142 6.278 5.881 23.951 1.00 22.24 C ATOM 2062 O SER A 142 7.472 5.884 23.654 1.00 11.11 O ATOM 2063 CB SER A 142 5.495 3.598 24.609 1.00 35.31 C ATOM 2064 OG SER A 142 6.679 3.002 24.109 1.00 51.04 O ATOM 0 H SER A 142 3.681 5.245 25.259 1.00 23.01 H new ATOM 0 HA SER A 142 6.520 4.994 25.882 1.00 70.10 H new ATOM 0 HB2 SER A 142 5.098 2.996 25.426 1.00 35.31 H new ATOM 0 HB3 SER A 142 4.735 3.615 23.828 1.00 35.31 H new ATOM 0 HG SER A 142 6.483 2.092 23.802 1.00 51.04 H new ATOM 2070 N ASN A 143 5.370 6.608 23.309 1.00 44.24 N ATOM 2071 CA ASN A 143 5.734 7.471 22.191 1.00 45.32 C ATOM 2072 C ASN A 143 6.440 6.676 21.097 1.00 60.13 C ATOM 2073 O ASN A 143 7.232 7.224 20.329 1.00 34.32 O ATOM 2074 CB ASN A 143 6.636 8.610 22.671 1.00 24.14 C ATOM 2075 CG ASN A 143 6.794 9.702 21.630 1.00 33.55 C ATOM 2076 OD1 ASN A 143 6.116 9.697 20.603 1.00 14.20 O ATOM 2077 ND2 ASN A 143 7.692 10.644 21.893 1.00 61.34 N ATOM 0 H ASN A 143 4.377 6.617 23.543 1.00 44.24 H new ATOM 0 HA ASN A 143 4.818 7.892 21.777 1.00 45.32 H new ATOM 0 HB2 ASN A 143 6.221 9.039 23.583 1.00 24.14 H new ATOM 0 HB3 ASN A 143 7.617 8.210 22.925 1.00 24.14 H new ATOM 0 HD21 ASN A 143 7.842 11.404 21.230 1.00 61.34 H new ATOM 0 HD22 ASN A 143 8.231 10.607 22.758 1.00 61.34 H new ATOM 2084 N ARG A 144 6.147 5.381 21.031 1.00 11.33 N ATOM 2085 CA ARG A 144 6.753 4.510 20.032 1.00 43.11 C ATOM 2086 C ARG A 144 6.571 5.083 18.629 1.00 22.33 C ATOM 2087 O ARG A 144 7.544 5.420 17.955 1.00 64.01 O ATOM 2088 CB ARG A 144 6.141 3.110 20.106 1.00 3.01 C ATOM 2089 CG ARG A 144 7.173 2.000 20.221 1.00 20.24 C ATOM 2090 CD ARG A 144 6.581 0.753 20.859 1.00 75.21 C ATOM 2091 NE ARG A 144 6.310 -0.290 19.873 1.00 34.00 N ATOM 2092 CZ ARG A 144 5.608 -1.387 20.137 1.00 2.32 C ATOM 2093 NH1 ARG A 144 5.109 -1.583 21.350 1.00 43.51 N ATOM 2094 NH2 ARG A 144 5.404 -2.290 19.187 1.00 61.20 N ATOM 0 H ARG A 144 5.493 4.912 21.658 1.00 11.33 H new ATOM 0 HA ARG A 144 7.820 4.444 20.243 1.00 43.11 H new ATOM 0 HB2 ARG A 144 5.470 3.061 20.963 1.00 3.01 H new ATOM 0 HB3 ARG A 144 5.535 2.940 19.216 1.00 3.01 H new ATOM 0 HG2 ARG A 144 7.558 1.756 19.231 1.00 20.24 H new ATOM 0 HG3 ARG A 144 8.018 2.348 20.815 1.00 20.24 H new ATOM 0 HD2 ARG A 144 7.269 0.370 21.612 1.00 75.21 H new ATOM 0 HD3 ARG A 144 5.657 1.013 21.375 1.00 75.21 H new ATOM 0 HE ARG A 144 6.680 -0.170 18.930 1.00 34.00 H new ATOM 0 HH11 ARG A 144 5.264 -0.891 22.083 1.00 43.51 H new ATOM 0 HH12 ARG A 144 4.571 -2.426 21.550 1.00 43.51 H new ATOM 0 HH21 ARG A 144 5.786 -2.143 18.253 1.00 61.20 H new ATOM 0 HH22 ARG A 144 4.865 -3.132 19.391 1.00 61.20 H new