USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 598 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 13 SER OG : rot -37:sc= 0.448 USER MOD Set 1.2: A 75 THR OG1 : rot -57:sc= 0.0994 USER MOD Set 2.1: A 63 GLN : amide:sc= 0.0709 K(o=0.051,f=2.2) USER MOD Set 2.2: A 65 TYR OH : rot 15:sc= -0.0199 USER MOD Single : A 16 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0982) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -127:sc= -0.116 (180deg=-0.755) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0888 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.825 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -8:sc= 0.32 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 75 N SER A 13 73.555 0.526 -9.313 1.00 0.00 N ATOM 76 CA SER A 13 72.548 -0.210 -8.486 1.00 0.00 C ATOM 77 C SER A 13 72.323 0.518 -7.158 1.00 0.00 C ATOM 78 O SER A 13 73.253 1.047 -6.573 1.00 0.00 O ATOM 79 CB SER A 13 73.162 -1.589 -8.241 1.00 0.00 C ATOM 80 OG SER A 13 74.504 -1.437 -7.799 1.00 0.00 O ATOM 0 HA SER A 13 71.580 -0.278 -8.982 1.00 0.00 H new ATOM 0 HB2 SER A 13 72.581 -2.130 -7.495 1.00 0.00 H new ATOM 0 HB3 SER A 13 73.134 -2.180 -9.157 1.00 0.00 H new ATOM 0 HG SER A 13 74.920 -0.684 -8.269 1.00 0.00 H new ATOM 86 N GLU A 14 71.097 0.539 -6.687 1.00 0.00 N ATOM 87 CA GLU A 14 70.761 1.328 -5.462 1.00 0.00 C ATOM 88 C GLU A 14 69.579 0.696 -4.717 1.00 0.00 C ATOM 89 O GLU A 14 68.672 0.155 -5.326 1.00 0.00 O ATOM 90 CB GLU A 14 70.383 2.721 -5.978 1.00 0.00 C ATOM 91 CG GLU A 14 71.635 3.597 -6.063 1.00 0.00 C ATOM 92 CD GLU A 14 71.253 4.992 -6.561 1.00 0.00 C ATOM 93 OE1 GLU A 14 70.270 5.527 -6.072 1.00 0.00 O ATOM 94 OE2 GLU A 14 71.948 5.503 -7.423 1.00 0.00 O ATOM 0 H GLU A 14 70.311 0.039 -7.103 1.00 0.00 H new ATOM 0 HA GLU A 14 71.593 1.361 -4.759 1.00 0.00 H new ATOM 0 HB2 GLU A 14 69.916 2.641 -6.960 1.00 0.00 H new ATOM 0 HB3 GLU A 14 69.651 3.179 -5.313 1.00 0.00 H new ATOM 0 HG2 GLU A 14 72.109 3.667 -5.084 1.00 0.00 H new ATOM 0 HG3 GLU A 14 72.362 3.145 -6.738 1.00 0.00 H new ATOM 101 N LEU A 15 69.601 0.765 -3.406 1.00 0.00 N ATOM 102 CA LEU A 15 68.417 0.350 -2.591 1.00 0.00 C ATOM 103 C LEU A 15 67.911 1.533 -1.762 1.00 0.00 C ATOM 104 O LEU A 15 68.663 2.149 -1.026 1.00 0.00 O ATOM 105 CB LEU A 15 68.936 -0.764 -1.680 1.00 0.00 C ATOM 106 CG LEU A 15 67.760 -1.426 -0.957 1.00 0.00 C ATOM 107 CD1 LEU A 15 66.966 -2.281 -1.948 1.00 0.00 C ATOM 108 CD2 LEU A 15 68.291 -2.313 0.170 1.00 0.00 C ATOM 0 H LEU A 15 70.398 1.095 -2.862 1.00 0.00 H new ATOM 0 HA LEU A 15 67.584 0.014 -3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 15 69.478 -1.505 -2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 15 69.639 -0.356 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 15 67.110 -0.657 -0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 15 66.129 -2.752 -1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 15 66.588 -1.650 -2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 15 67.615 -3.051 -2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 15 67.455 -2.785 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 15 68.941 -3.082 -0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 15 68.856 -1.705 0.876 1.00 0.00 H new ATOM 120 N LYS A 16 66.641 1.849 -1.884 1.00 0.00 N ATOM 121 CA LYS A 16 66.040 2.953 -1.075 1.00 0.00 C ATOM 122 C LYS A 16 65.261 2.371 0.107 1.00 0.00 C ATOM 123 O LYS A 16 64.278 1.676 -0.084 1.00 0.00 O ATOM 124 CB LYS A 16 65.090 3.670 -2.036 1.00 0.00 C ATOM 125 CG LYS A 16 65.865 4.719 -2.838 1.00 0.00 C ATOM 126 CD LYS A 16 66.001 5.994 -2.005 1.00 0.00 C ATOM 127 CE LYS A 16 66.556 7.120 -2.880 1.00 0.00 C ATOM 128 NZ LYS A 16 66.731 8.274 -1.955 1.00 0.00 N ATOM 0 H LYS A 16 65.991 1.382 -2.517 1.00 0.00 H new ATOM 0 HA LYS A 16 66.793 3.626 -0.664 1.00 0.00 H new ATOM 0 HB2 LYS A 16 64.628 2.950 -2.711 1.00 0.00 H new ATOM 0 HB3 LYS A 16 64.284 4.147 -1.478 1.00 0.00 H new ATOM 0 HG2 LYS A 16 66.851 4.336 -3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 16 65.347 4.935 -3.772 1.00 0.00 H new ATOM 0 HD2 LYS A 16 65.031 6.280 -1.598 1.00 0.00 H new ATOM 0 HD3 LYS A 16 66.663 5.818 -1.157 1.00 0.00 H new ATOM 0 HE2 LYS A 16 67.503 6.834 -3.338 1.00 0.00 H new ATOM 0 HE3 LYS A 16 65.870 7.364 -3.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 67.233 9.040 -2.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 65.799 8.614 -1.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 67.284 7.974 -1.127 1.00 0.00 H new ATOM 142 N LEU A 17 65.698 2.653 1.314 1.00 0.00 N ATOM 143 CA LEU A 17 65.016 2.103 2.529 1.00 0.00 C ATOM 144 C LEU A 17 64.405 3.239 3.355 1.00 0.00 C ATOM 145 O LEU A 17 64.891 4.357 3.333 1.00 0.00 O ATOM 146 CB LEU A 17 66.117 1.407 3.330 1.00 0.00 C ATOM 147 CG LEU A 17 66.634 0.190 2.558 1.00 0.00 C ATOM 148 CD1 LEU A 17 67.986 -0.238 3.132 1.00 0.00 C ATOM 149 CD2 LEU A 17 65.636 -0.963 2.695 1.00 0.00 C ATOM 0 H LEU A 17 66.505 3.246 1.509 1.00 0.00 H new ATOM 0 HA LEU A 17 64.207 1.422 2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 17 66.935 2.102 3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 17 65.731 1.096 4.301 1.00 0.00 H new ATOM 0 HG LEU A 17 66.749 0.449 1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 17 68.356 -1.104 2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 17 68.698 0.582 3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 17 67.869 -0.497 4.184 1.00 0.00 H new ATOM 0 HD21 LEU A 17 66.004 -1.830 2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 17 65.522 -1.222 3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 17 64.671 -0.659 2.290 1.00 0.00 H new ATOM 161 N LYS A 18 63.346 2.952 4.076 1.00 0.00 N ATOM 162 CA LYS A 18 62.767 3.952 5.026 1.00 0.00 C ATOM 163 C LYS A 18 62.542 3.298 6.404 1.00 0.00 C ATOM 164 O LYS A 18 61.927 2.248 6.464 1.00 0.00 O ATOM 165 CB LYS A 18 61.429 4.354 4.404 1.00 0.00 C ATOM 166 CG LYS A 18 60.844 5.542 5.169 1.00 0.00 C ATOM 167 CD LYS A 18 59.422 5.817 4.676 1.00 0.00 C ATOM 168 CE LYS A 18 58.973 7.198 5.156 1.00 0.00 C ATOM 169 NZ LYS A 18 57.532 7.284 4.784 1.00 0.00 N ATOM 0 H LYS A 18 62.855 2.059 4.045 1.00 0.00 H new ATOM 0 HA LYS A 18 63.422 4.810 5.179 1.00 0.00 H new ATOM 0 HB2 LYS A 18 61.568 4.617 3.355 1.00 0.00 H new ATOM 0 HB3 LYS A 18 60.736 3.513 4.433 1.00 0.00 H new ATOM 0 HG2 LYS A 18 60.835 5.331 6.238 1.00 0.00 H new ATOM 0 HG3 LYS A 18 61.468 6.424 5.024 1.00 0.00 H new ATOM 0 HD2 LYS A 18 59.388 5.770 3.588 1.00 0.00 H new ATOM 0 HD3 LYS A 18 58.742 5.052 5.050 1.00 0.00 H new ATOM 0 HE2 LYS A 18 59.110 7.306 6.232 1.00 0.00 H new ATOM 0 HE3 LYS A 18 59.552 7.989 4.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 57.151 8.205 5.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 57.433 7.184 3.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 57.005 6.523 5.258 1.00 0.00 H new ATOM 183 N PRO A 19 63.036 3.915 7.473 1.00 0.00 N ATOM 184 CA PRO A 19 62.731 3.407 8.839 1.00 0.00 C ATOM 185 C PRO A 19 61.316 3.818 9.252 1.00 0.00 C ATOM 186 O PRO A 19 60.905 4.944 9.029 1.00 0.00 O ATOM 187 CB PRO A 19 63.774 4.093 9.720 1.00 0.00 C ATOM 188 CG PRO A 19 64.116 5.356 9.002 1.00 0.00 C ATOM 189 CD PRO A 19 63.912 5.105 7.532 1.00 0.00 C ATOM 0 HA PRO A 19 62.769 2.320 8.912 1.00 0.00 H new ATOM 0 HB2 PRO A 19 63.377 4.299 10.714 1.00 0.00 H new ATOM 0 HB3 PRO A 19 64.654 3.464 9.853 1.00 0.00 H new ATOM 0 HG2 PRO A 19 63.483 6.175 9.343 1.00 0.00 H new ATOM 0 HG3 PRO A 19 65.148 5.645 9.203 1.00 0.00 H new ATOM 0 HD2 PRO A 19 63.449 5.963 7.044 1.00 0.00 H new ATOM 0 HD3 PRO A 19 64.860 4.924 7.026 1.00 0.00 H new ATOM 197 N LEU A 20 60.575 2.911 9.849 1.00 0.00 N ATOM 198 CA LEU A 20 59.194 3.248 10.337 1.00 0.00 C ATOM 199 C LEU A 20 59.194 4.164 11.599 1.00 0.00 C ATOM 200 O LEU A 20 58.465 5.141 11.568 1.00 0.00 O ATOM 201 CB LEU A 20 58.463 1.913 10.563 1.00 0.00 C ATOM 202 CG LEU A 20 58.279 1.199 9.222 1.00 0.00 C ATOM 203 CD1 LEU A 20 57.998 -0.284 9.466 1.00 0.00 C ATOM 204 CD2 LEU A 20 57.101 1.821 8.467 1.00 0.00 C ATOM 0 H LEU A 20 60.867 1.949 10.020 1.00 0.00 H new ATOM 0 HA LEU A 20 58.669 3.844 9.590 1.00 0.00 H new ATOM 0 HB2 LEU A 20 59.034 1.285 11.246 1.00 0.00 H new ATOM 0 HB3 LEU A 20 57.494 2.091 11.028 1.00 0.00 H new ATOM 0 HG LEU A 20 59.188 1.305 8.630 1.00 0.00 H new ATOM 0 HD11 LEU A 20 57.867 -0.792 8.510 1.00 0.00 H new ATOM 0 HD12 LEU A 20 58.836 -0.730 10.002 1.00 0.00 H new ATOM 0 HD13 LEU A 20 57.090 -0.389 10.060 1.00 0.00 H new ATOM 0 HD21 LEU A 20 56.971 1.312 7.512 1.00 0.00 H new ATOM 0 HD22 LEU A 20 56.193 1.717 9.060 1.00 0.00 H new ATOM 0 HD23 LEU A 20 57.300 2.878 8.290 1.00 0.00 H new ATOM 216 N PRO A 21 59.959 3.889 12.675 1.00 0.00 N ATOM 217 CA PRO A 21 60.128 4.934 13.735 1.00 0.00 C ATOM 218 C PRO A 21 60.941 6.115 13.188 1.00 0.00 C ATOM 219 O PRO A 21 61.775 5.944 12.316 1.00 0.00 O ATOM 220 CB PRO A 21 60.886 4.224 14.858 1.00 0.00 C ATOM 221 CG PRO A 21 61.572 3.079 14.195 1.00 0.00 C ATOM 222 CD PRO A 21 60.698 2.657 13.050 1.00 0.00 C ATOM 0 HA PRO A 21 59.178 5.342 14.079 1.00 0.00 H new ATOM 0 HB2 PRO A 21 61.604 4.892 15.334 1.00 0.00 H new ATOM 0 HB3 PRO A 21 60.206 3.879 15.637 1.00 0.00 H new ATOM 0 HG2 PRO A 21 62.560 3.373 13.840 1.00 0.00 H new ATOM 0 HG3 PRO A 21 61.716 2.256 14.895 1.00 0.00 H new ATOM 0 HD2 PRO A 21 61.290 2.280 12.216 1.00 0.00 H new ATOM 0 HD3 PRO A 21 60.016 1.859 13.344 1.00 0.00 H new ATOM 230 N LYS A 22 60.697 7.301 13.701 1.00 0.00 N ATOM 231 CA LYS A 22 61.400 8.520 13.181 1.00 0.00 C ATOM 232 C LYS A 22 62.764 8.679 13.858 1.00 0.00 C ATOM 233 O LYS A 22 62.853 9.176 14.967 1.00 0.00 O ATOM 234 CB LYS A 22 60.489 9.702 13.533 1.00 0.00 C ATOM 235 CG LYS A 22 59.191 9.605 12.727 1.00 0.00 C ATOM 236 CD LYS A 22 58.254 10.747 13.129 1.00 0.00 C ATOM 237 CE LYS A 22 58.781 12.065 12.560 1.00 0.00 C ATOM 238 NZ LYS A 22 57.864 13.109 13.099 1.00 0.00 N ATOM 0 H LYS A 22 60.039 7.477 14.460 1.00 0.00 H new ATOM 0 HA LYS A 22 61.581 8.454 12.108 1.00 0.00 H new ATOM 0 HB2 LYS A 22 60.268 9.699 14.600 1.00 0.00 H new ATOM 0 HB3 LYS A 22 60.995 10.642 13.315 1.00 0.00 H new ATOM 0 HG2 LYS A 22 59.408 9.657 11.660 1.00 0.00 H new ATOM 0 HG3 LYS A 22 58.709 8.644 12.908 1.00 0.00 H new ATOM 0 HD2 LYS A 22 57.248 10.554 12.756 1.00 0.00 H new ATOM 0 HD3 LYS A 22 58.185 10.809 14.215 1.00 0.00 H new ATOM 0 HE2 LYS A 22 59.810 12.245 12.869 1.00 0.00 H new ATOM 0 HE3 LYS A 22 58.773 12.056 11.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 58.160 14.044 12.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 56.893 12.915 12.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 57.898 13.098 14.138 1.00 0.00 H new ATOM 252 N VAL A 23 63.817 8.256 13.194 1.00 0.00 N ATOM 253 CA VAL A 23 65.195 8.405 13.759 1.00 0.00 C ATOM 254 C VAL A 23 66.208 8.662 12.629 1.00 0.00 C ATOM 255 O VAL A 23 66.108 8.084 11.561 1.00 0.00 O ATOM 256 CB VAL A 23 65.470 7.080 14.502 1.00 0.00 C ATOM 257 CG1 VAL A 23 65.448 5.887 13.535 1.00 0.00 C ATOM 258 CG2 VAL A 23 66.836 7.146 15.195 1.00 0.00 C ATOM 0 H VAL A 23 63.778 7.811 12.277 1.00 0.00 H new ATOM 0 HA VAL A 23 65.286 9.254 14.436 1.00 0.00 H new ATOM 0 HB VAL A 23 64.684 6.940 15.244 1.00 0.00 H new ATOM 0 HG11 VAL A 23 65.645 4.968 14.087 1.00 0.00 H new ATOM 0 HG12 VAL A 23 64.469 5.822 13.059 1.00 0.00 H new ATOM 0 HG13 VAL A 23 66.214 6.023 12.772 1.00 0.00 H new ATOM 0 HG21 VAL A 23 67.025 6.208 15.718 1.00 0.00 H new ATOM 0 HG22 VAL A 23 67.615 7.309 14.450 1.00 0.00 H new ATOM 0 HG23 VAL A 23 66.841 7.968 15.911 1.00 0.00 H new ATOM 268 N GLU A 24 67.172 9.523 12.870 1.00 0.00 N ATOM 269 CA GLU A 24 68.233 9.797 11.852 1.00 0.00 C ATOM 270 C GLU A 24 69.599 9.344 12.380 1.00 0.00 C ATOM 271 O GLU A 24 70.114 9.904 13.332 1.00 0.00 O ATOM 272 CB GLU A 24 68.210 11.315 11.657 1.00 0.00 C ATOM 273 CG GLU A 24 69.093 11.692 10.466 1.00 0.00 C ATOM 274 CD GLU A 24 69.161 13.216 10.342 1.00 0.00 C ATOM 275 OE1 GLU A 24 68.121 13.846 10.436 1.00 0.00 O ATOM 276 OE2 GLU A 24 70.253 13.727 10.151 1.00 0.00 O ATOM 0 H GLU A 24 67.267 10.051 13.738 1.00 0.00 H new ATOM 0 HA GLU A 24 68.060 9.263 10.918 1.00 0.00 H new ATOM 0 HB2 GLU A 24 67.188 11.655 11.487 1.00 0.00 H new ATOM 0 HB3 GLU A 24 68.566 11.813 12.559 1.00 0.00 H new ATOM 0 HG2 GLU A 24 70.094 11.282 10.598 1.00 0.00 H new ATOM 0 HG3 GLU A 24 68.690 11.260 9.550 1.00 0.00 H new ATOM 283 N LEU A 25 70.177 8.337 11.764 1.00 0.00 N ATOM 284 CA LEU A 25 71.485 7.789 12.247 1.00 0.00 C ATOM 285 C LEU A 25 72.655 8.447 11.494 1.00 0.00 C ATOM 286 O LEU A 25 72.485 8.847 10.357 1.00 0.00 O ATOM 287 CB LEU A 25 71.429 6.289 11.942 1.00 0.00 C ATOM 288 CG LEU A 25 70.365 5.627 12.820 1.00 0.00 C ATOM 289 CD1 LEU A 25 69.988 4.267 12.228 1.00 0.00 C ATOM 290 CD2 LEU A 25 70.919 5.431 14.233 1.00 0.00 C ATOM 0 H LEU A 25 69.795 7.869 10.942 1.00 0.00 H new ATOM 0 HA LEU A 25 71.642 7.984 13.308 1.00 0.00 H new ATOM 0 HB2 LEU A 25 71.197 6.130 10.889 1.00 0.00 H new ATOM 0 HB3 LEU A 25 72.402 5.833 12.126 1.00 0.00 H new ATOM 0 HG LEU A 25 69.481 6.264 12.861 1.00 0.00 H new ATOM 0 HD11 LEU A 25 69.230 3.795 12.853 1.00 0.00 H new ATOM 0 HD12 LEU A 25 69.593 4.405 11.221 1.00 0.00 H new ATOM 0 HD13 LEU A 25 70.872 3.630 12.187 1.00 0.00 H new ATOM 0 HD21 LEU A 25 70.161 4.959 14.859 1.00 0.00 H new ATOM 0 HD22 LEU A 25 71.803 4.795 14.192 1.00 0.00 H new ATOM 0 HD23 LEU A 25 71.188 6.399 14.656 1.00 0.00 H new ATOM 302 N PRO A 26 73.816 8.545 12.136 1.00 0.00 N ATOM 303 CA PRO A 26 75.030 9.096 11.454 1.00 0.00 C ATOM 304 C PRO A 26 75.394 8.277 10.194 1.00 0.00 C ATOM 305 O PRO A 26 74.943 7.155 10.056 1.00 0.00 O ATOM 306 CB PRO A 26 76.129 8.975 12.513 1.00 0.00 C ATOM 307 CG PRO A 26 75.400 8.915 13.812 1.00 0.00 C ATOM 308 CD PRO A 26 74.120 8.182 13.536 1.00 0.00 C ATOM 0 HA PRO A 26 74.881 10.118 11.106 1.00 0.00 H new ATOM 0 HB2 PRO A 26 76.733 8.081 12.356 1.00 0.00 H new ATOM 0 HB3 PRO A 26 76.807 9.828 12.479 1.00 0.00 H new ATOM 0 HG2 PRO A 26 75.991 8.397 14.567 1.00 0.00 H new ATOM 0 HG3 PRO A 26 75.201 9.916 14.194 1.00 0.00 H new ATOM 0 HD2 PRO A 26 74.239 7.105 13.656 1.00 0.00 H new ATOM 0 HD3 PRO A 26 73.325 8.492 14.214 1.00 0.00 H new ATOM 316 N PRO A 27 76.199 8.856 9.313 1.00 0.00 N ATOM 317 CA PRO A 27 76.494 8.207 7.999 1.00 0.00 C ATOM 318 C PRO A 27 77.215 6.857 8.159 1.00 0.00 C ATOM 319 O PRO A 27 77.234 6.064 7.233 1.00 0.00 O ATOM 320 CB PRO A 27 77.398 9.220 7.284 1.00 0.00 C ATOM 321 CG PRO A 27 77.162 10.510 7.995 1.00 0.00 C ATOM 322 CD PRO A 27 76.906 10.147 9.426 1.00 0.00 C ATOM 0 HA PRO A 27 75.581 7.977 7.450 1.00 0.00 H new ATOM 0 HB2 PRO A 27 78.445 8.924 7.340 1.00 0.00 H new ATOM 0 HB3 PRO A 27 77.145 9.299 6.227 1.00 0.00 H new ATOM 0 HG2 PRO A 27 78.026 11.169 7.907 1.00 0.00 H new ATOM 0 HG3 PRO A 27 76.311 11.042 7.568 1.00 0.00 H new ATOM 0 HD2 PRO A 27 77.833 10.053 9.992 1.00 0.00 H new ATOM 0 HD3 PRO A 27 76.299 10.898 9.932 1.00 0.00 H new ATOM 330 N ASP A 28 77.800 6.589 9.309 1.00 0.00 N ATOM 331 CA ASP A 28 78.605 5.331 9.477 1.00 0.00 C ATOM 332 C ASP A 28 77.684 4.103 9.563 1.00 0.00 C ATOM 333 O ASP A 28 78.086 3.003 9.221 1.00 0.00 O ATOM 334 CB ASP A 28 79.433 5.507 10.766 1.00 0.00 C ATOM 335 CG ASP A 28 78.520 5.735 11.979 1.00 0.00 C ATOM 336 OD1 ASP A 28 77.728 4.854 12.275 1.00 0.00 O ATOM 337 OD2 ASP A 28 78.630 6.785 12.590 1.00 0.00 O ATOM 0 H ASP A 28 77.754 7.186 10.135 1.00 0.00 H new ATOM 0 HA ASP A 28 79.260 5.164 8.622 1.00 0.00 H new ATOM 0 HB2 ASP A 28 80.049 4.623 10.931 1.00 0.00 H new ATOM 0 HB3 ASP A 28 80.112 6.352 10.654 1.00 0.00 H new ATOM 342 N PHE A 29 76.456 4.282 10.009 1.00 0.00 N ATOM 343 CA PHE A 29 75.489 3.128 10.101 1.00 0.00 C ATOM 344 C PHE A 29 75.273 2.480 8.729 1.00 0.00 C ATOM 345 O PHE A 29 75.395 1.281 8.580 1.00 0.00 O ATOM 346 CB PHE A 29 74.174 3.723 10.617 1.00 0.00 C ATOM 347 CG PHE A 29 74.063 3.696 12.122 1.00 0.00 C ATOM 348 CD1 PHE A 29 74.701 4.707 12.905 1.00 0.00 C ATOM 349 CD2 PHE A 29 73.324 2.655 12.766 1.00 0.00 C ATOM 350 CE1 PHE A 29 74.600 4.677 14.331 1.00 0.00 C ATOM 351 CE2 PHE A 29 73.222 2.626 14.191 1.00 0.00 C ATOM 352 CZ PHE A 29 73.862 3.637 14.973 1.00 0.00 C ATOM 0 H PHE A 29 76.080 5.180 10.314 1.00 0.00 H new ATOM 0 HA PHE A 29 75.870 2.349 10.761 1.00 0.00 H new ATOM 0 HB2 PHE A 29 74.087 4.753 10.271 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.339 3.171 10.187 1.00 0.00 H new ATOM 0 HD1 PHE A 29 75.259 5.494 12.420 1.00 0.00 H new ATOM 0 HD2 PHE A 29 72.843 1.890 12.175 1.00 0.00 H new ATOM 0 HE1 PHE A 29 75.082 5.441 14.923 1.00 0.00 H new ATOM 0 HE2 PHE A 29 72.662 1.841 14.677 1.00 0.00 H new ATOM 0 HZ PHE A 29 73.787 3.614 16.050 1.00 0.00 H new ATOM 362 N VAL A 30 74.964 3.278 7.730 1.00 0.00 N ATOM 363 CA VAL A 30 74.577 2.733 6.376 1.00 0.00 C ATOM 364 C VAL A 30 75.671 1.786 5.835 1.00 0.00 C ATOM 365 O VAL A 30 75.372 0.747 5.275 1.00 0.00 O ATOM 366 CB VAL A 30 74.410 3.986 5.491 1.00 0.00 C ATOM 367 CG1 VAL A 30 74.219 3.617 4.014 1.00 0.00 C ATOM 368 CG2 VAL A 30 73.188 4.773 5.967 1.00 0.00 C ATOM 0 H VAL A 30 74.962 4.296 7.792 1.00 0.00 H new ATOM 0 HA VAL A 30 73.665 2.137 6.405 1.00 0.00 H new ATOM 0 HB VAL A 30 75.317 4.584 5.578 1.00 0.00 H new ATOM 0 HG11 VAL A 30 74.105 4.526 3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 30 75.089 3.063 3.662 1.00 0.00 H new ATOM 0 HG13 VAL A 30 73.327 3.000 3.906 1.00 0.00 H new ATOM 0 HG21 VAL A 30 73.063 5.661 5.347 1.00 0.00 H new ATOM 0 HG22 VAL A 30 72.299 4.147 5.889 1.00 0.00 H new ATOM 0 HG23 VAL A 30 73.330 5.073 7.005 1.00 0.00 H new ATOM 378 N ASP A 31 76.920 2.149 6.010 1.00 0.00 N ATOM 379 CA ASP A 31 78.050 1.255 5.578 1.00 0.00 C ATOM 380 C ASP A 31 78.049 -0.049 6.388 1.00 0.00 C ATOM 381 O ASP A 31 78.274 -1.116 5.844 1.00 0.00 O ATOM 382 CB ASP A 31 79.340 2.044 5.838 1.00 0.00 C ATOM 383 CG ASP A 31 79.386 3.270 4.922 1.00 0.00 C ATOM 384 OD1 ASP A 31 79.086 3.122 3.749 1.00 0.00 O ATOM 385 OD2 ASP A 31 79.723 4.336 5.410 1.00 0.00 O ATOM 0 H ASP A 31 77.210 3.030 6.435 1.00 0.00 H new ATOM 0 HA ASP A 31 77.955 0.979 4.528 1.00 0.00 H new ATOM 0 HB2 ASP A 31 79.384 2.355 6.882 1.00 0.00 H new ATOM 0 HB3 ASP A 31 80.208 1.410 5.658 1.00 0.00 H new ATOM 390 N VAL A 32 77.791 0.035 7.675 1.00 0.00 N ATOM 391 CA VAL A 32 77.813 -1.196 8.542 1.00 0.00 C ATOM 392 C VAL A 32 76.624 -2.100 8.176 1.00 0.00 C ATOM 393 O VAL A 32 76.759 -3.308 8.108 1.00 0.00 O ATOM 394 CB VAL A 32 77.717 -0.701 10.003 1.00 0.00 C ATOM 395 CG1 VAL A 32 77.747 -1.892 10.971 1.00 0.00 C ATOM 396 CG2 VAL A 32 78.903 0.216 10.323 1.00 0.00 C ATOM 0 H VAL A 32 77.566 0.901 8.164 1.00 0.00 H new ATOM 0 HA VAL A 32 78.721 -1.783 8.402 1.00 0.00 H new ATOM 0 HB VAL A 32 76.780 -0.156 10.119 1.00 0.00 H new ATOM 0 HG11 VAL A 32 77.679 -1.529 11.997 1.00 0.00 H new ATOM 0 HG12 VAL A 32 76.905 -2.552 10.763 1.00 0.00 H new ATOM 0 HG13 VAL A 32 78.679 -2.442 10.842 1.00 0.00 H new ATOM 0 HG21 VAL A 32 78.828 0.561 11.354 1.00 0.00 H new ATOM 0 HG22 VAL A 32 79.834 -0.334 10.191 1.00 0.00 H new ATOM 0 HG23 VAL A 32 78.891 1.075 9.652 1.00 0.00 H new ATOM 406 N ILE A 33 75.468 -1.516 7.937 1.00 0.00 N ATOM 407 CA ILE A 33 74.264 -2.320 7.517 1.00 0.00 C ATOM 408 C ILE A 33 74.533 -3.001 6.163 1.00 0.00 C ATOM 409 O ILE A 33 74.192 -4.153 5.967 1.00 0.00 O ATOM 410 CB ILE A 33 73.097 -1.305 7.422 1.00 0.00 C ATOM 411 CG1 ILE A 33 72.827 -0.658 8.800 1.00 0.00 C ATOM 412 CG2 ILE A 33 71.815 -1.985 6.915 1.00 0.00 C ATOM 413 CD1 ILE A 33 72.449 -1.710 9.858 1.00 0.00 C ATOM 0 H ILE A 33 75.305 -0.512 8.015 1.00 0.00 H new ATOM 0 HA ILE A 33 74.029 -3.116 8.224 1.00 0.00 H new ATOM 0 HB ILE A 33 73.388 -0.531 6.712 1.00 0.00 H new ATOM 0 HG12 ILE A 33 73.714 -0.115 9.127 1.00 0.00 H new ATOM 0 HG13 ILE A 33 72.022 0.071 8.708 1.00 0.00 H new ATOM 0 HG21 ILE A 33 71.012 -1.250 6.858 1.00 0.00 H new ATOM 0 HG22 ILE A 33 71.993 -2.406 5.925 1.00 0.00 H new ATOM 0 HG23 ILE A 33 71.530 -2.782 7.602 1.00 0.00 H new ATOM 0 HD11 ILE A 33 72.267 -1.217 10.813 1.00 0.00 H new ATOM 0 HD12 ILE A 33 71.547 -2.235 9.543 1.00 0.00 H new ATOM 0 HD13 ILE A 33 73.265 -2.424 9.969 1.00 0.00 H new ATOM 425 N ARG A 34 75.143 -2.291 5.238 1.00 0.00 N ATOM 426 CA ARG A 34 75.471 -2.883 3.889 1.00 0.00 C ATOM 427 C ARG A 34 76.371 -4.120 4.030 1.00 0.00 C ATOM 428 O ARG A 34 76.187 -5.103 3.337 1.00 0.00 O ATOM 429 CB ARG A 34 76.207 -1.782 3.115 1.00 0.00 C ATOM 430 CG ARG A 34 76.333 -2.187 1.645 1.00 0.00 C ATOM 431 CD ARG A 34 77.083 -1.093 0.876 1.00 0.00 C ATOM 432 NE ARG A 34 78.507 -1.164 1.352 1.00 0.00 N ATOM 433 CZ ARG A 34 79.337 -0.138 1.252 1.00 0.00 C ATOM 434 NH1 ARG A 34 78.986 1.009 0.714 1.00 0.00 N ATOM 435 NH2 ARG A 34 80.556 -0.274 1.697 1.00 0.00 N ATOM 0 H ARG A 34 75.431 -1.320 5.358 1.00 0.00 H new ATOM 0 HA ARG A 34 74.566 -3.208 3.376 1.00 0.00 H new ATOM 0 HB2 ARG A 34 75.665 -0.840 3.198 1.00 0.00 H new ATOM 0 HB3 ARG A 34 77.196 -1.620 3.544 1.00 0.00 H new ATOM 0 HG2 ARG A 34 76.865 -3.135 1.562 1.00 0.00 H new ATOM 0 HG3 ARG A 34 75.344 -2.338 1.212 1.00 0.00 H new ATOM 0 HD2 ARG A 34 77.021 -1.258 -0.200 1.00 0.00 H new ATOM 0 HD3 ARG A 34 76.653 -0.111 1.073 1.00 0.00 H new ATOM 0 HE ARG A 34 78.845 -2.033 1.766 1.00 0.00 H new ATOM 0 HH11 ARG A 34 78.040 1.135 0.353 1.00 0.00 H new ATOM 0 HH12 ARG A 34 79.659 1.773 0.658 1.00 0.00 H new ATOM 0 HH21 ARG A 34 80.852 -1.158 2.112 1.00 0.00 H new ATOM 0 HH22 ARG A 34 81.213 0.503 1.630 1.00 0.00 H new ATOM 449 N ILE A 35 77.335 -4.070 4.926 1.00 0.00 N ATOM 450 CA ILE A 35 78.256 -5.245 5.136 1.00 0.00 C ATOM 451 C ILE A 35 77.461 -6.439 5.698 1.00 0.00 C ATOM 452 O ILE A 35 77.662 -7.568 5.283 1.00 0.00 O ATOM 453 CB ILE A 35 79.332 -4.765 6.136 1.00 0.00 C ATOM 454 CG1 ILE A 35 80.122 -3.603 5.525 1.00 0.00 C ATOM 455 CG2 ILE A 35 80.311 -5.901 6.463 1.00 0.00 C ATOM 456 CD1 ILE A 35 80.882 -2.866 6.629 1.00 0.00 C ATOM 0 H ILE A 35 77.525 -3.265 5.523 1.00 0.00 H new ATOM 0 HA ILE A 35 78.715 -5.581 4.206 1.00 0.00 H new ATOM 0 HB ILE A 35 78.831 -4.444 7.049 1.00 0.00 H new ATOM 0 HG12 ILE A 35 80.820 -3.978 4.776 1.00 0.00 H new ATOM 0 HG13 ILE A 35 79.445 -2.918 5.015 1.00 0.00 H new ATOM 0 HG21 ILE A 35 81.061 -5.543 7.169 1.00 0.00 H new ATOM 0 HG22 ILE A 35 79.766 -6.735 6.905 1.00 0.00 H new ATOM 0 HG23 ILE A 35 80.802 -6.232 5.548 1.00 0.00 H new ATOM 0 HD11 ILE A 35 81.444 -2.039 6.194 1.00 0.00 H new ATOM 0 HD12 ILE A 35 80.174 -2.478 7.361 1.00 0.00 H new ATOM 0 HD13 ILE A 35 81.570 -3.555 7.119 1.00 0.00 H new ATOM 468 N LYS A 36 76.576 -6.190 6.634 1.00 0.00 N ATOM 469 CA LYS A 36 75.739 -7.297 7.216 1.00 0.00 C ATOM 470 C LYS A 36 74.799 -7.892 6.158 1.00 0.00 C ATOM 471 O LYS A 36 74.635 -9.097 6.080 1.00 0.00 O ATOM 472 CB LYS A 36 74.921 -6.659 8.346 1.00 0.00 C ATOM 473 CG LYS A 36 75.860 -6.180 9.458 1.00 0.00 C ATOM 474 CD LYS A 36 76.428 -7.387 10.206 1.00 0.00 C ATOM 475 CE LYS A 36 77.209 -6.908 11.431 1.00 0.00 C ATOM 476 NZ LYS A 36 77.159 -8.050 12.388 1.00 0.00 N ATOM 0 H LYS A 36 76.394 -5.265 7.024 1.00 0.00 H new ATOM 0 HA LYS A 36 76.367 -8.111 7.578 1.00 0.00 H new ATOM 0 HB2 LYS A 36 74.342 -5.820 7.960 1.00 0.00 H new ATOM 0 HB3 LYS A 36 74.209 -7.381 8.745 1.00 0.00 H new ATOM 0 HG2 LYS A 36 76.671 -5.588 9.033 1.00 0.00 H new ATOM 0 HG3 LYS A 36 75.321 -5.532 10.149 1.00 0.00 H new ATOM 0 HD2 LYS A 36 75.620 -8.051 10.514 1.00 0.00 H new ATOM 0 HD3 LYS A 36 77.080 -7.962 9.548 1.00 0.00 H new ATOM 0 HE2 LYS A 36 78.237 -6.656 11.170 1.00 0.00 H new ATOM 0 HE3 LYS A 36 76.760 -6.013 11.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 77.674 -7.799 13.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 76.169 -8.263 12.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 77.600 -8.886 11.954 1.00 0.00 H new ATOM 490 N LEU A 37 74.191 -7.055 5.350 1.00 0.00 N ATOM 491 CA LEU A 37 73.059 -7.513 4.477 1.00 0.00 C ATOM 492 C LEU A 37 73.558 -8.011 3.114 1.00 0.00 C ATOM 493 O LEU A 37 72.940 -8.869 2.510 1.00 0.00 O ATOM 494 CB LEU A 37 72.166 -6.283 4.296 1.00 0.00 C ATOM 495 CG LEU A 37 71.303 -6.088 5.544 1.00 0.00 C ATOM 496 CD1 LEU A 37 70.753 -4.662 5.567 1.00 0.00 C ATOM 497 CD2 LEU A 37 70.139 -7.082 5.519 1.00 0.00 C ATOM 0 H LEU A 37 74.431 -6.068 5.256 1.00 0.00 H new ATOM 0 HA LEU A 37 72.529 -8.351 4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 37 72.779 -5.398 4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 37 71.532 -6.408 3.418 1.00 0.00 H new ATOM 0 HG LEU A 37 71.909 -6.258 6.434 1.00 0.00 H new ATOM 0 HD11 LEU A 37 70.138 -4.523 6.456 1.00 0.00 H new ATOM 0 HD12 LEU A 37 71.581 -3.953 5.584 1.00 0.00 H new ATOM 0 HD13 LEU A 37 70.147 -4.491 4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 37 69.523 -6.944 6.408 1.00 0.00 H new ATOM 0 HD22 LEU A 37 69.534 -6.911 4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 37 70.530 -8.099 5.503 1.00 0.00 H new ATOM 509 N GLN A 38 74.663 -7.479 2.625 1.00 0.00 N ATOM 510 CA GLN A 38 75.149 -7.810 1.230 1.00 0.00 C ATOM 511 C GLN A 38 75.220 -9.328 0.979 1.00 0.00 C ATOM 512 O GLN A 38 75.462 -10.102 1.888 1.00 0.00 O ATOM 513 CB GLN A 38 76.550 -7.181 1.096 1.00 0.00 C ATOM 514 CG GLN A 38 77.498 -7.706 2.187 1.00 0.00 C ATOM 515 CD GLN A 38 78.944 -7.659 1.687 1.00 0.00 C ATOM 516 OE1 GLN A 38 79.452 -8.634 1.171 1.00 0.00 O ATOM 517 NE2 GLN A 38 79.633 -6.559 1.820 1.00 0.00 N ATOM 0 H GLN A 38 75.256 -6.824 3.135 1.00 0.00 H new ATOM 0 HA GLN A 38 74.452 -7.415 0.491 1.00 0.00 H new ATOM 0 HB2 GLN A 38 76.961 -7.408 0.112 1.00 0.00 H new ATOM 0 HB3 GLN A 38 76.473 -6.096 1.167 1.00 0.00 H new ATOM 0 HG2 GLN A 38 77.396 -7.104 3.090 1.00 0.00 H new ATOM 0 HG3 GLN A 38 77.229 -8.728 2.454 1.00 0.00 H new ATOM 0 HE21 GLN A 38 79.207 -5.740 2.253 1.00 0.00 H new ATOM 0 HE22 GLN A 38 80.598 -6.518 1.491 1.00 0.00 H new ATOM 526 N GLY A 39 75.009 -9.738 -0.252 1.00 0.00 N ATOM 527 CA GLY A 39 74.918 -11.194 -0.579 1.00 0.00 C ATOM 528 C GLY A 39 73.452 -11.645 -0.630 1.00 0.00 C ATOM 529 O GLY A 39 73.125 -12.591 -1.326 1.00 0.00 O ATOM 0 H GLY A 39 74.895 -9.115 -1.052 1.00 0.00 H new ATOM 0 HA2 GLY A 39 75.397 -11.387 -1.539 1.00 0.00 H new ATOM 0 HA3 GLY A 39 75.457 -11.775 0.169 1.00 0.00 H new ATOM 533 N LYS A 40 72.575 -10.983 0.096 1.00 0.00 N ATOM 534 CA LYS A 40 71.113 -11.304 0.014 1.00 0.00 C ATOM 535 C LYS A 40 70.447 -10.463 -1.079 1.00 0.00 C ATOM 536 O LYS A 40 70.928 -9.395 -1.421 1.00 0.00 O ATOM 537 CB LYS A 40 70.536 -10.952 1.388 1.00 0.00 C ATOM 538 CG LYS A 40 71.099 -11.911 2.439 1.00 0.00 C ATOM 539 CD LYS A 40 70.236 -11.849 3.702 1.00 0.00 C ATOM 540 CE LYS A 40 70.485 -10.526 4.430 1.00 0.00 C ATOM 541 NZ LYS A 40 69.426 -10.459 5.475 1.00 0.00 N ATOM 0 H LYS A 40 72.813 -10.232 0.744 1.00 0.00 H new ATOM 0 HA LYS A 40 70.941 -12.351 -0.237 1.00 0.00 H new ATOM 0 HB2 LYS A 40 70.787 -9.923 1.647 1.00 0.00 H new ATOM 0 HB3 LYS A 40 69.448 -11.018 1.365 1.00 0.00 H new ATOM 0 HG2 LYS A 40 71.116 -12.928 2.047 1.00 0.00 H new ATOM 0 HG3 LYS A 40 72.129 -11.644 2.676 1.00 0.00 H new ATOM 0 HD2 LYS A 40 69.182 -11.938 3.439 1.00 0.00 H new ATOM 0 HD3 LYS A 40 70.473 -12.687 4.358 1.00 0.00 H new ATOM 0 HE2 LYS A 40 71.480 -10.500 4.874 1.00 0.00 H new ATOM 0 HE3 LYS A 40 70.419 -9.680 3.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 68.916 -9.556 5.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 68.759 -11.246 5.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 69.862 -10.528 6.416 1.00 0.00 H new ATOM 555 N THR A 41 69.352 -10.944 -1.622 1.00 0.00 N ATOM 556 CA THR A 41 68.630 -10.193 -2.697 1.00 0.00 C ATOM 557 C THR A 41 67.426 -9.454 -2.109 1.00 0.00 C ATOM 558 O THR A 41 66.830 -9.897 -1.143 1.00 0.00 O ATOM 559 CB THR A 41 68.171 -11.266 -3.686 1.00 0.00 C ATOM 560 OG1 THR A 41 69.270 -12.100 -4.021 1.00 0.00 O ATOM 561 CG2 THR A 41 67.632 -10.598 -4.953 1.00 0.00 C ATOM 0 H THR A 41 68.925 -11.833 -1.363 1.00 0.00 H new ATOM 0 HA THR A 41 69.261 -9.442 -3.173 1.00 0.00 H new ATOM 0 HB THR A 41 67.383 -11.866 -3.231 1.00 0.00 H new ATOM 0 HG1 THR A 41 68.977 -12.789 -4.653 1.00 0.00 H new ATOM 0 HG21 THR A 41 67.305 -11.363 -5.657 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.788 -9.958 -4.696 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.418 -9.997 -5.410 1.00 0.00 H new ATOM 569 N VAL A 42 67.071 -8.331 -2.693 1.00 0.00 N ATOM 570 CA VAL A 42 65.956 -7.492 -2.146 1.00 0.00 C ATOM 571 C VAL A 42 64.992 -7.083 -3.268 1.00 0.00 C ATOM 572 O VAL A 42 65.401 -6.878 -4.398 1.00 0.00 O ATOM 573 CB VAL A 42 66.622 -6.252 -1.516 1.00 0.00 C ATOM 574 CG1 VAL A 42 67.498 -6.685 -0.338 1.00 0.00 C ATOM 575 CG2 VAL A 42 67.491 -5.508 -2.542 1.00 0.00 C ATOM 0 H VAL A 42 67.512 -7.957 -3.534 1.00 0.00 H new ATOM 0 HA VAL A 42 65.369 -8.040 -1.409 1.00 0.00 H new ATOM 0 HB VAL A 42 65.835 -5.580 -1.174 1.00 0.00 H new ATOM 0 HG11 VAL A 42 67.969 -5.808 0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 42 66.882 -7.185 0.409 1.00 0.00 H new ATOM 0 HG13 VAL A 42 68.268 -7.371 -0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 42 67.948 -4.638 -2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 42 68.272 -6.174 -2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 42 66.870 -5.183 -3.377 1.00 0.00 H new ATOM 585 N ARG A 43 63.721 -6.974 -2.949 1.00 0.00 N ATOM 586 CA ARG A 43 62.717 -6.455 -3.928 1.00 0.00 C ATOM 587 C ARG A 43 61.780 -5.460 -3.236 1.00 0.00 C ATOM 588 O ARG A 43 61.499 -5.583 -2.057 1.00 0.00 O ATOM 589 CB ARG A 43 61.937 -7.686 -4.391 1.00 0.00 C ATOM 590 CG ARG A 43 62.855 -8.602 -5.205 1.00 0.00 C ATOM 591 CD ARG A 43 62.048 -9.780 -5.758 1.00 0.00 C ATOM 592 NE ARG A 43 61.664 -10.585 -4.554 1.00 0.00 N ATOM 593 CZ ARG A 43 62.516 -11.387 -3.937 1.00 0.00 C ATOM 594 NH1 ARG A 43 63.761 -11.537 -4.334 1.00 0.00 N ATOM 595 NH2 ARG A 43 62.105 -12.056 -2.896 1.00 0.00 N ATOM 0 H ARG A 43 63.335 -7.227 -2.039 1.00 0.00 H new ATOM 0 HA ARG A 43 63.185 -5.933 -4.763 1.00 0.00 H new ATOM 0 HB2 ARG A 43 61.542 -8.224 -3.529 1.00 0.00 H new ATOM 0 HB3 ARG A 43 61.083 -7.381 -4.995 1.00 0.00 H new ATOM 0 HG2 ARG A 43 63.309 -8.044 -6.023 1.00 0.00 H new ATOM 0 HG3 ARG A 43 63.668 -8.968 -4.578 1.00 0.00 H new ATOM 0 HD2 ARG A 43 61.167 -9.435 -6.300 1.00 0.00 H new ATOM 0 HD3 ARG A 43 62.641 -10.372 -6.456 1.00 0.00 H new ATOM 0 HE ARG A 43 60.711 -10.512 -4.197 1.00 0.00 H new ATOM 0 HH11 ARG A 43 64.102 -11.024 -5.147 1.00 0.00 H new ATOM 0 HH12 ARG A 43 64.385 -12.166 -3.829 1.00 0.00 H new ATOM 0 HH21 ARG A 43 61.143 -11.955 -2.572 1.00 0.00 H new ATOM 0 HH22 ARG A 43 62.746 -12.680 -2.405 1.00 0.00 H new ATOM 609 N THR A 44 61.291 -4.479 -3.966 1.00 0.00 N ATOM 610 CA THR A 44 60.408 -3.415 -3.357 1.00 0.00 C ATOM 611 C THR A 44 59.195 -4.031 -2.642 1.00 0.00 C ATOM 612 O THR A 44 58.585 -4.963 -3.138 1.00 0.00 O ATOM 613 CB THR A 44 59.934 -2.549 -4.531 1.00 0.00 C ATOM 614 OG1 THR A 44 61.049 -2.199 -5.338 1.00 0.00 O ATOM 615 CG2 THR A 44 59.270 -1.278 -3.999 1.00 0.00 C ATOM 0 H THR A 44 61.465 -4.366 -4.965 1.00 0.00 H new ATOM 0 HA THR A 44 60.954 -2.840 -2.609 1.00 0.00 H new ATOM 0 HB THR A 44 59.213 -3.109 -5.126 1.00 0.00 H new ATOM 0 HG1 THR A 44 60.748 -1.647 -6.090 1.00 0.00 H new ATOM 0 HG21 THR A 44 58.935 -0.665 -4.836 1.00 0.00 H new ATOM 0 HG22 THR A 44 58.414 -1.546 -3.380 1.00 0.00 H new ATOM 0 HG23 THR A 44 59.988 -0.715 -3.402 1.00 0.00 H new ATOM 623 N GLY A 45 58.852 -3.509 -1.484 1.00 0.00 N ATOM 624 CA GLY A 45 57.645 -3.995 -0.744 1.00 0.00 C ATOM 625 C GLY A 45 58.031 -4.997 0.357 1.00 0.00 C ATOM 626 O GLY A 45 57.244 -5.246 1.254 1.00 0.00 O ATOM 0 H GLY A 45 59.364 -2.760 -1.018 1.00 0.00 H new ATOM 0 HA2 GLY A 45 57.122 -3.148 -0.301 1.00 0.00 H new ATOM 0 HA3 GLY A 45 56.953 -4.467 -1.442 1.00 0.00 H new ATOM 630 N ASP A 46 59.220 -5.573 0.303 1.00 0.00 N ATOM 631 CA ASP A 46 59.668 -6.508 1.395 1.00 0.00 C ATOM 632 C ASP A 46 59.801 -5.764 2.728 1.00 0.00 C ATOM 633 O ASP A 46 60.041 -4.570 2.752 1.00 0.00 O ATOM 634 CB ASP A 46 61.038 -7.045 0.960 1.00 0.00 C ATOM 635 CG ASP A 46 60.873 -8.003 -0.223 1.00 0.00 C ATOM 636 OD1 ASP A 46 59.930 -8.779 -0.215 1.00 0.00 O ATOM 637 OD2 ASP A 46 61.701 -7.948 -1.117 1.00 0.00 O ATOM 0 H ASP A 46 59.895 -5.435 -0.449 1.00 0.00 H new ATOM 0 HA ASP A 46 58.945 -7.310 1.542 1.00 0.00 H new ATOM 0 HB2 ASP A 46 61.690 -6.218 0.680 1.00 0.00 H new ATOM 0 HB3 ASP A 46 61.517 -7.561 1.792 1.00 0.00 H new ATOM 642 N VAL A 47 59.645 -6.469 3.825 1.00 0.00 N ATOM 643 CA VAL A 47 59.829 -5.847 5.177 1.00 0.00 C ATOM 644 C VAL A 47 60.730 -6.753 6.027 1.00 0.00 C ATOM 645 O VAL A 47 60.520 -7.952 6.096 1.00 0.00 O ATOM 646 CB VAL A 47 58.415 -5.736 5.782 1.00 0.00 C ATOM 647 CG1 VAL A 47 58.482 -5.088 7.171 1.00 0.00 C ATOM 648 CG2 VAL A 47 57.523 -4.866 4.886 1.00 0.00 C ATOM 0 H VAL A 47 59.396 -7.458 3.841 1.00 0.00 H new ATOM 0 HA VAL A 47 60.304 -4.867 5.130 1.00 0.00 H new ATOM 0 HB VAL A 47 57.999 -6.741 5.860 1.00 0.00 H new ATOM 0 HG11 VAL A 47 57.477 -5.015 7.587 1.00 0.00 H new ATOM 0 HG12 VAL A 47 59.104 -5.697 7.827 1.00 0.00 H new ATOM 0 HG13 VAL A 47 58.913 -4.090 7.087 1.00 0.00 H new ATOM 0 HG21 VAL A 47 56.527 -4.795 5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 47 57.954 -3.869 4.802 1.00 0.00 H new ATOM 0 HG23 VAL A 47 57.453 -5.316 3.896 1.00 0.00 H new ATOM 658 N ILE A 48 61.725 -6.181 6.668 1.00 0.00 N ATOM 659 CA ILE A 48 62.667 -6.992 7.509 1.00 0.00 C ATOM 660 C ILE A 48 62.964 -6.266 8.826 1.00 0.00 C ATOM 661 O ILE A 48 62.869 -5.054 8.904 1.00 0.00 O ATOM 662 CB ILE A 48 63.950 -7.183 6.672 1.00 0.00 C ATOM 663 CG1 ILE A 48 64.575 -5.830 6.276 1.00 0.00 C ATOM 664 CG2 ILE A 48 63.614 -7.979 5.405 1.00 0.00 C ATOM 665 CD1 ILE A 48 65.548 -5.365 7.364 1.00 0.00 C ATOM 0 H ILE A 48 61.926 -5.181 6.644 1.00 0.00 H new ATOM 0 HA ILE A 48 62.236 -7.958 7.773 1.00 0.00 H new ATOM 0 HB ILE A 48 64.675 -7.725 7.280 1.00 0.00 H new ATOM 0 HG12 ILE A 48 65.099 -5.926 5.325 1.00 0.00 H new ATOM 0 HG13 ILE A 48 63.792 -5.085 6.135 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.518 -8.116 4.811 1.00 0.00 H new ATOM 0 HG22 ILE A 48 63.211 -8.953 5.683 1.00 0.00 H new ATOM 0 HG23 ILE A 48 62.874 -7.435 4.819 1.00 0.00 H new ATOM 0 HD11 ILE A 48 65.985 -4.409 7.077 1.00 0.00 H new ATOM 0 HD12 ILE A 48 65.012 -5.251 8.306 1.00 0.00 H new ATOM 0 HD13 ILE A 48 66.340 -6.104 7.484 1.00 0.00 H new ATOM 677 N GLY A 49 63.316 -7.006 9.855 1.00 0.00 N ATOM 678 CA GLY A 49 63.567 -6.394 11.197 1.00 0.00 C ATOM 679 C GLY A 49 65.063 -6.452 11.519 1.00 0.00 C ATOM 680 O GLY A 49 65.719 -7.444 11.256 1.00 0.00 O ATOM 0 H GLY A 49 63.440 -8.018 9.818 1.00 0.00 H new ATOM 0 HA2 GLY A 49 63.223 -5.360 11.206 1.00 0.00 H new ATOM 0 HA3 GLY A 49 63.000 -6.925 11.961 1.00 0.00 H new ATOM 684 N ILE A 50 65.595 -5.391 12.083 1.00 0.00 N ATOM 685 CA ILE A 50 67.024 -5.391 12.537 1.00 0.00 C ATOM 686 C ILE A 50 67.092 -4.890 13.987 1.00 0.00 C ATOM 687 O ILE A 50 66.368 -3.987 14.367 1.00 0.00 O ATOM 688 CB ILE A 50 67.770 -4.436 11.580 1.00 0.00 C ATOM 689 CG1 ILE A 50 67.655 -4.941 10.135 1.00 0.00 C ATOM 690 CG2 ILE A 50 69.257 -4.369 11.957 1.00 0.00 C ATOM 691 CD1 ILE A 50 68.110 -3.844 9.168 1.00 0.00 C ATOM 0 H ILE A 50 65.095 -4.518 12.249 1.00 0.00 H new ATOM 0 HA ILE A 50 67.472 -6.385 12.514 1.00 0.00 H new ATOM 0 HB ILE A 50 67.321 -3.446 11.663 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.266 -5.833 10.002 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.625 -5.225 9.920 1.00 0.00 H new ATOM 0 HG21 ILE A 50 69.775 -3.693 11.276 1.00 0.00 H new ATOM 0 HG22 ILE A 50 69.357 -4.002 12.979 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.696 -5.364 11.884 1.00 0.00 H new ATOM 0 HD11 ILE A 50 68.027 -4.205 8.143 1.00 0.00 H new ATOM 0 HD12 ILE A 50 67.480 -2.963 9.294 1.00 0.00 H new ATOM 0 HD13 ILE A 50 69.147 -3.581 9.378 1.00 0.00 H new ATOM 703 N SER A 51 67.949 -5.480 14.789 1.00 0.00 N ATOM 704 CA SER A 51 68.213 -4.938 16.161 1.00 0.00 C ATOM 705 C SER A 51 69.345 -3.905 16.110 1.00 0.00 C ATOM 706 O SER A 51 70.459 -4.222 15.732 1.00 0.00 O ATOM 707 CB SER A 51 68.630 -6.147 17.002 1.00 0.00 C ATOM 708 OG SER A 51 69.107 -5.701 18.264 1.00 0.00 O ATOM 0 H SER A 51 68.479 -6.318 14.550 1.00 0.00 H new ATOM 0 HA SER A 51 67.339 -4.438 16.579 1.00 0.00 H new ATOM 0 HB2 SER A 51 67.783 -6.819 17.138 1.00 0.00 H new ATOM 0 HB3 SER A 51 69.406 -6.712 16.486 1.00 0.00 H new ATOM 0 HG SER A 51 69.373 -6.474 18.805 1.00 0.00 H new ATOM 714 N ILE A 52 69.059 -2.679 16.492 1.00 0.00 N ATOM 715 CA ILE A 52 70.078 -1.584 16.402 1.00 0.00 C ATOM 716 C ILE A 52 70.237 -0.911 17.774 1.00 0.00 C ATOM 717 O ILE A 52 69.273 -0.468 18.370 1.00 0.00 O ATOM 718 CB ILE A 52 69.524 -0.592 15.353 1.00 0.00 C ATOM 719 CG1 ILE A 52 69.310 -1.290 13.989 1.00 0.00 C ATOM 720 CG2 ILE A 52 70.484 0.596 15.173 1.00 0.00 C ATOM 721 CD1 ILE A 52 70.621 -1.883 13.443 1.00 0.00 C ATOM 0 H ILE A 52 68.155 -2.390 16.865 1.00 0.00 H new ATOM 0 HA ILE A 52 71.063 -1.951 16.113 1.00 0.00 H new ATOM 0 HB ILE A 52 68.564 -0.228 15.717 1.00 0.00 H new ATOM 0 HG12 ILE A 52 68.569 -2.082 14.098 1.00 0.00 H new ATOM 0 HG13 ILE A 52 68.908 -0.574 13.272 1.00 0.00 H new ATOM 0 HG21 ILE A 52 70.077 1.283 14.431 1.00 0.00 H new ATOM 0 HG22 ILE A 52 70.601 1.116 16.124 1.00 0.00 H new ATOM 0 HG23 ILE A 52 71.455 0.232 14.837 1.00 0.00 H new ATOM 0 HD11 ILE A 52 70.431 -2.365 12.484 1.00 0.00 H new ATOM 0 HD12 ILE A 52 71.353 -1.086 13.310 1.00 0.00 H new ATOM 0 HD13 ILE A 52 71.009 -2.618 14.148 1.00 0.00 H new ATOM 733 N LEU A 53 71.458 -0.835 18.271 1.00 0.00 N ATOM 734 CA LEU A 53 71.775 -0.053 19.524 1.00 0.00 C ATOM 735 C LEU A 53 70.857 -0.467 20.687 1.00 0.00 C ATOM 736 O LEU A 53 70.460 0.351 21.498 1.00 0.00 O ATOM 737 CB LEU A 53 71.568 1.425 19.147 1.00 0.00 C ATOM 738 CG LEU A 53 72.518 2.322 19.959 1.00 0.00 C ATOM 739 CD1 LEU A 53 72.872 3.569 19.140 1.00 0.00 C ATOM 740 CD2 LEU A 53 71.847 2.757 21.268 1.00 0.00 C ATOM 0 H LEU A 53 72.267 -1.293 17.851 1.00 0.00 H new ATOM 0 HA LEU A 53 72.792 -0.240 19.868 1.00 0.00 H new ATOM 0 HB2 LEU A 53 71.748 1.564 18.081 1.00 0.00 H new ATOM 0 HB3 LEU A 53 70.534 1.714 19.336 1.00 0.00 H new ATOM 0 HG LEU A 53 73.422 1.758 20.188 1.00 0.00 H new ATOM 0 HD11 LEU A 53 73.545 4.204 19.716 1.00 0.00 H new ATOM 0 HD12 LEU A 53 73.361 3.269 18.213 1.00 0.00 H new ATOM 0 HD13 LEU A 53 71.962 4.122 18.908 1.00 0.00 H new ATOM 0 HD21 LEU A 53 72.530 3.391 21.833 1.00 0.00 H new ATOM 0 HD22 LEU A 53 70.937 3.313 21.043 1.00 0.00 H new ATOM 0 HD23 LEU A 53 71.597 1.876 21.859 1.00 0.00 H new ATOM 752 N GLY A 54 70.519 -1.735 20.760 1.00 0.00 N ATOM 753 CA GLY A 54 69.702 -2.253 21.903 1.00 0.00 C ATOM 754 C GLY A 54 68.222 -1.874 21.729 1.00 0.00 C ATOM 755 O GLY A 54 67.487 -1.821 22.700 1.00 0.00 O ATOM 0 H GLY A 54 70.778 -2.439 20.068 1.00 0.00 H new ATOM 0 HA2 GLY A 54 69.800 -3.337 21.965 1.00 0.00 H new ATOM 0 HA3 GLY A 54 70.079 -1.845 22.841 1.00 0.00 H new ATOM 759 N LYS A 55 67.781 -1.610 20.513 1.00 0.00 N ATOM 760 CA LYS A 55 66.346 -1.258 20.275 1.00 0.00 C ATOM 761 C LYS A 55 65.875 -1.862 18.950 1.00 0.00 C ATOM 762 O LYS A 55 66.571 -1.788 17.953 1.00 0.00 O ATOM 763 CB LYS A 55 66.320 0.270 20.210 1.00 0.00 C ATOM 764 CG LYS A 55 64.870 0.758 20.199 1.00 0.00 C ATOM 765 CD LYS A 55 64.843 2.281 20.056 1.00 0.00 C ATOM 766 CE LYS A 55 63.405 2.783 20.195 1.00 0.00 C ATOM 767 NZ LYS A 55 63.374 4.069 19.444 1.00 0.00 N ATOM 0 H LYS A 55 68.362 -1.625 19.675 1.00 0.00 H new ATOM 0 HA LYS A 55 65.687 -1.642 21.054 1.00 0.00 H new ATOM 0 HB2 LYS A 55 66.849 0.690 21.066 1.00 0.00 H new ATOM 0 HB3 LYS A 55 66.837 0.615 19.315 1.00 0.00 H new ATOM 0 HG2 LYS A 55 64.326 0.295 19.375 1.00 0.00 H new ATOM 0 HG3 LYS A 55 64.368 0.460 21.120 1.00 0.00 H new ATOM 0 HD2 LYS A 55 65.474 2.739 20.817 1.00 0.00 H new ATOM 0 HD3 LYS A 55 65.249 2.573 19.087 1.00 0.00 H new ATOM 0 HE2 LYS A 55 62.695 2.067 19.782 1.00 0.00 H new ATOM 0 HE3 LYS A 55 63.137 2.930 21.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 62.418 4.476 19.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 64.055 4.733 19.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 63.627 3.897 18.450 1.00 0.00 H new ATOM 781 N GLU A 56 64.703 -2.457 18.940 1.00 0.00 N ATOM 782 CA GLU A 56 64.198 -3.127 17.697 1.00 0.00 C ATOM 783 C GLU A 56 63.650 -2.083 16.719 1.00 0.00 C ATOM 784 O GLU A 56 62.810 -1.275 17.075 1.00 0.00 O ATOM 785 CB GLU A 56 63.080 -4.073 18.159 1.00 0.00 C ATOM 786 CG GLU A 56 62.980 -5.260 17.196 1.00 0.00 C ATOM 787 CD GLU A 56 64.013 -6.324 17.579 1.00 0.00 C ATOM 788 OE1 GLU A 56 64.138 -6.603 18.761 1.00 0.00 O ATOM 789 OE2 GLU A 56 64.662 -6.839 16.685 1.00 0.00 O ATOM 0 H GLU A 56 64.074 -2.507 19.741 1.00 0.00 H new ATOM 0 HA GLU A 56 64.989 -3.668 17.178 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.284 -4.428 19.169 1.00 0.00 H new ATOM 0 HB3 GLU A 56 62.130 -3.540 18.194 1.00 0.00 H new ATOM 0 HG2 GLU A 56 61.977 -5.685 17.230 1.00 0.00 H new ATOM 0 HG3 GLU A 56 63.150 -4.926 16.173 1.00 0.00 H new ATOM 796 N VAL A 57 64.125 -2.102 15.494 1.00 0.00 N ATOM 797 CA VAL A 57 63.617 -1.155 14.448 1.00 0.00 C ATOM 798 C VAL A 57 63.123 -1.946 13.225 1.00 0.00 C ATOM 799 O VAL A 57 63.785 -2.857 12.759 1.00 0.00 O ATOM 800 CB VAL A 57 64.813 -0.236 14.105 1.00 0.00 C ATOM 801 CG1 VAL A 57 66.015 -1.051 13.610 1.00 0.00 C ATOM 802 CG2 VAL A 57 64.413 0.774 13.020 1.00 0.00 C ATOM 0 H VAL A 57 64.852 -2.741 15.171 1.00 0.00 H new ATOM 0 HA VAL A 57 62.768 -0.563 14.791 1.00 0.00 H new ATOM 0 HB VAL A 57 65.095 0.291 15.016 1.00 0.00 H new ATOM 0 HG11 VAL A 57 66.840 -0.378 13.377 1.00 0.00 H new ATOM 0 HG12 VAL A 57 66.325 -1.750 14.387 1.00 0.00 H new ATOM 0 HG13 VAL A 57 65.735 -1.605 12.714 1.00 0.00 H new ATOM 0 HG21 VAL A 57 65.264 1.415 12.788 1.00 0.00 H new ATOM 0 HG22 VAL A 57 64.105 0.240 12.121 1.00 0.00 H new ATOM 0 HG23 VAL A 57 63.586 1.386 13.380 1.00 0.00 H new ATOM 812 N LYS A 58 61.961 -1.596 12.720 1.00 0.00 N ATOM 813 CA LYS A 58 61.434 -2.244 11.478 1.00 0.00 C ATOM 814 C LYS A 58 61.764 -1.387 10.252 1.00 0.00 C ATOM 815 O LYS A 58 61.575 -0.182 10.263 1.00 0.00 O ATOM 816 CB LYS A 58 59.920 -2.323 11.684 1.00 0.00 C ATOM 817 CG LYS A 58 59.607 -3.324 12.799 1.00 0.00 C ATOM 818 CD LYS A 58 58.092 -3.476 12.939 1.00 0.00 C ATOM 819 CE LYS A 58 57.778 -4.377 14.135 1.00 0.00 C ATOM 820 NZ LYS A 58 56.373 -4.049 14.504 1.00 0.00 N ATOM 0 H LYS A 58 61.352 -0.883 13.120 1.00 0.00 H new ATOM 0 HA LYS A 58 61.875 -3.226 11.307 1.00 0.00 H new ATOM 0 HB2 LYS A 58 59.526 -1.340 11.942 1.00 0.00 H new ATOM 0 HB3 LYS A 58 59.432 -2.629 10.759 1.00 0.00 H new ATOM 0 HG2 LYS A 58 60.060 -4.289 12.573 1.00 0.00 H new ATOM 0 HG3 LYS A 58 60.037 -2.982 13.740 1.00 0.00 H new ATOM 0 HD2 LYS A 58 57.629 -2.499 13.075 1.00 0.00 H new ATOM 0 HD3 LYS A 58 57.673 -3.904 12.028 1.00 0.00 H new ATOM 0 HE2 LYS A 58 57.882 -5.430 13.874 1.00 0.00 H new ATOM 0 HE3 LYS A 58 58.459 -4.185 14.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 56.084 -4.628 15.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 56.306 -3.042 14.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 55.747 -4.248 13.698 1.00 0.00 H new ATOM 834 N PHE A 59 62.252 -2.007 9.200 1.00 0.00 N ATOM 835 CA PHE A 59 62.616 -1.254 7.958 1.00 0.00 C ATOM 836 C PHE A 59 61.786 -1.755 6.774 1.00 0.00 C ATOM 837 O PHE A 59 61.679 -2.948 6.551 1.00 0.00 O ATOM 838 CB PHE A 59 64.097 -1.557 7.729 1.00 0.00 C ATOM 839 CG PHE A 59 65.031 -0.707 8.559 1.00 0.00 C ATOM 840 CD1 PHE A 59 65.255 0.661 8.210 1.00 0.00 C ATOM 841 CD2 PHE A 59 65.698 -1.274 9.688 1.00 0.00 C ATOM 842 CE1 PHE A 59 66.144 1.462 8.993 1.00 0.00 C ATOM 843 CE2 PHE A 59 66.588 -0.475 10.468 1.00 0.00 C ATOM 844 CZ PHE A 59 66.810 0.893 10.122 1.00 0.00 C ATOM 0 H PHE A 59 62.414 -3.013 9.151 1.00 0.00 H new ATOM 0 HA PHE A 59 62.426 -0.185 8.056 1.00 0.00 H new ATOM 0 HB2 PHE A 59 64.282 -2.608 7.953 1.00 0.00 H new ATOM 0 HB3 PHE A 59 64.329 -1.411 6.674 1.00 0.00 H new ATOM 0 HD1 PHE A 59 64.753 1.090 7.355 1.00 0.00 H new ATOM 0 HD2 PHE A 59 65.529 -2.308 9.952 1.00 0.00 H new ATOM 0 HE1 PHE A 59 66.312 2.496 8.731 1.00 0.00 H new ATOM 0 HE2 PHE A 59 67.094 -0.905 11.320 1.00 0.00 H new ATOM 0 HZ PHE A 59 67.481 1.497 10.714 1.00 0.00 H new ATOM 854 N LYS A 60 61.203 -0.848 6.021 1.00 0.00 N ATOM 855 CA LYS A 60 60.487 -1.236 4.767 1.00 0.00 C ATOM 856 C LYS A 60 61.331 -0.868 3.544 1.00 0.00 C ATOM 857 O LYS A 60 61.980 0.163 3.525 1.00 0.00 O ATOM 858 CB LYS A 60 59.190 -0.427 4.781 1.00 0.00 C ATOM 859 CG LYS A 60 58.262 -0.939 3.676 1.00 0.00 C ATOM 860 CD LYS A 60 57.004 -0.069 3.619 1.00 0.00 C ATOM 861 CE LYS A 60 56.030 -0.649 2.589 1.00 0.00 C ATOM 862 NZ LYS A 60 55.209 0.511 2.143 1.00 0.00 N ATOM 0 H LYS A 60 61.195 0.151 6.226 1.00 0.00 H new ATOM 0 HA LYS A 60 60.298 -2.308 4.716 1.00 0.00 H new ATOM 0 HB2 LYS A 60 58.702 -0.517 5.752 1.00 0.00 H new ATOM 0 HB3 LYS A 60 59.406 0.631 4.629 1.00 0.00 H new ATOM 0 HG2 LYS A 60 58.776 -0.916 2.715 1.00 0.00 H new ATOM 0 HG3 LYS A 60 57.990 -1.977 3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 60 56.531 -0.029 4.600 1.00 0.00 H new ATOM 0 HD3 LYS A 60 57.268 0.954 3.350 1.00 0.00 H new ATOM 0 HE2 LYS A 60 56.563 -1.101 1.752 1.00 0.00 H new ATOM 0 HE3 LYS A 60 55.407 -1.428 3.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 54.516 0.194 1.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 54.709 0.917 2.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 55.828 1.233 1.723 1.00 0.00 H new ATOM 876 N VAL A 61 61.323 -1.708 2.532 1.00 0.00 N ATOM 877 CA VAL A 61 62.073 -1.398 1.269 1.00 0.00 C ATOM 878 C VAL A 61 61.194 -0.519 0.370 1.00 0.00 C ATOM 879 O VAL A 61 60.157 -0.951 -0.101 1.00 0.00 O ATOM 880 CB VAL A 61 62.367 -2.758 0.602 1.00 0.00 C ATOM 881 CG1 VAL A 61 63.167 -2.552 -0.691 1.00 0.00 C ATOM 882 CG2 VAL A 61 63.191 -3.643 1.545 1.00 0.00 C ATOM 0 H VAL A 61 60.827 -2.599 2.527 1.00 0.00 H new ATOM 0 HA VAL A 61 63.001 -0.857 1.455 1.00 0.00 H new ATOM 0 HB VAL A 61 61.415 -3.239 0.378 1.00 0.00 H new ATOM 0 HG11 VAL A 61 63.368 -3.519 -1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 61 62.592 -1.934 -1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 61 64.110 -2.057 -0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 61 63.392 -4.600 1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 61 64.134 -3.148 1.777 1.00 0.00 H new ATOM 0 HG23 VAL A 61 62.633 -3.811 2.466 1.00 0.00 H new ATOM 892 N VAL A 62 61.617 0.703 0.132 1.00 0.00 N ATOM 893 CA VAL A 62 60.771 1.675 -0.638 1.00 0.00 C ATOM 894 C VAL A 62 60.863 1.345 -2.132 1.00 0.00 C ATOM 895 O VAL A 62 59.861 1.332 -2.826 1.00 0.00 O ATOM 896 CB VAL A 62 61.343 3.077 -0.341 1.00 0.00 C ATOM 897 CG1 VAL A 62 60.517 4.150 -1.063 1.00 0.00 C ATOM 898 CG2 VAL A 62 61.293 3.360 1.166 1.00 0.00 C ATOM 0 H VAL A 62 62.517 1.071 0.440 1.00 0.00 H new ATOM 0 HA VAL A 62 59.720 1.627 -0.353 1.00 0.00 H new ATOM 0 HB VAL A 62 62.375 3.104 -0.691 1.00 0.00 H new ATOM 0 HG11 VAL A 62 60.930 5.135 -0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 62 60.549 3.972 -2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 62 59.484 4.106 -0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 62 61.699 4.352 1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 62 60.260 3.316 1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 62 61.884 2.614 1.696 1.00 0.00 H new ATOM 908 N GLN A 63 62.057 1.076 -2.617 1.00 0.00 N ATOM 909 CA GLN A 63 62.232 0.737 -4.066 1.00 0.00 C ATOM 910 C GLN A 63 63.572 0.032 -4.293 1.00 0.00 C ATOM 911 O GLN A 63 64.588 0.428 -3.750 1.00 0.00 O ATOM 912 CB GLN A 63 62.193 2.082 -4.808 1.00 0.00 C ATOM 913 CG GLN A 63 60.770 2.368 -5.301 1.00 0.00 C ATOM 914 CD GLN A 63 60.820 3.302 -6.512 1.00 0.00 C ATOM 915 OE1 GLN A 63 61.215 4.444 -6.396 1.00 0.00 O ATOM 916 NE2 GLN A 63 60.432 2.859 -7.677 1.00 0.00 N ATOM 0 H GLN A 63 62.917 1.077 -2.069 1.00 0.00 H new ATOM 0 HA GLN A 63 61.456 0.059 -4.421 1.00 0.00 H new ATOM 0 HB2 GLN A 63 62.525 2.882 -4.146 1.00 0.00 H new ATOM 0 HB3 GLN A 63 62.882 2.061 -5.652 1.00 0.00 H new ATOM 0 HG2 GLN A 63 60.274 1.435 -5.570 1.00 0.00 H new ATOM 0 HG3 GLN A 63 60.183 2.823 -4.503 1.00 0.00 H new ATOM 0 HE21 GLN A 63 60.100 1.899 -7.773 1.00 0.00 H new ATOM 0 HE22 GLN A 63 60.461 3.473 -8.491 1.00 0.00 H new ATOM 925 N ALA A 64 63.565 -1.010 -5.092 1.00 0.00 N ATOM 926 CA ALA A 64 64.840 -1.663 -5.522 1.00 0.00 C ATOM 927 C ALA A 64 65.142 -1.304 -6.980 1.00 0.00 C ATOM 928 O ALA A 64 64.282 -1.411 -7.835 1.00 0.00 O ATOM 929 CB ALA A 64 64.582 -3.163 -5.381 1.00 0.00 C ATOM 0 H ALA A 64 62.719 -1.439 -5.468 1.00 0.00 H new ATOM 0 HA ALA A 64 65.695 -1.341 -4.928 1.00 0.00 H new ATOM 0 HB1 ALA A 64 65.474 -3.715 -5.679 1.00 0.00 H new ATOM 0 HB2 ALA A 64 64.341 -3.395 -4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 64 63.747 -3.450 -6.020 1.00 0.00 H new ATOM 935 N TYR A 65 66.352 -0.877 -7.259 1.00 0.00 N ATOM 936 CA TYR A 65 66.731 -0.497 -8.657 1.00 0.00 C ATOM 937 C TYR A 65 68.042 -1.203 -9.063 1.00 0.00 C ATOM 938 O TYR A 65 69.045 -0.987 -8.413 1.00 0.00 O ATOM 939 CB TYR A 65 66.942 1.019 -8.599 1.00 0.00 C ATOM 940 CG TYR A 65 65.673 1.812 -8.799 1.00 0.00 C ATOM 941 CD1 TYR A 65 64.971 1.737 -10.041 1.00 0.00 C ATOM 942 CD2 TYR A 65 65.175 2.641 -7.745 1.00 0.00 C ATOM 943 CE1 TYR A 65 63.772 2.489 -10.232 1.00 0.00 C ATOM 944 CE2 TYR A 65 63.974 3.392 -7.936 1.00 0.00 C ATOM 945 CZ TYR A 65 63.272 3.317 -9.179 1.00 0.00 C ATOM 946 OH TYR A 65 62.114 4.043 -9.364 1.00 0.00 O ATOM 0 H TYR A 65 67.099 -0.775 -6.572 1.00 0.00 H new ATOM 0 HA TYR A 65 65.974 -0.784 -9.387 1.00 0.00 H new ATOM 0 HB2 TYR A 65 67.376 1.281 -7.634 1.00 0.00 H new ATOM 0 HB3 TYR A 65 67.665 1.307 -9.362 1.00 0.00 H new ATOM 0 HD1 TYR A 65 65.347 1.111 -10.836 1.00 0.00 H new ATOM 0 HD2 TYR A 65 65.706 2.699 -6.806 1.00 0.00 H new ATOM 0 HE1 TYR A 65 63.243 2.432 -11.172 1.00 0.00 H new ATOM 0 HE2 TYR A 65 63.596 4.017 -7.140 1.00 0.00 H new ATOM 0 HH TYR A 65 61.640 3.707 -10.153 1.00 0.00 H new ATOM 956 N PRO A 66 68.047 -2.023 -10.109 1.00 0.00 N ATOM 957 CA PRO A 66 66.819 -2.636 -10.724 1.00 0.00 C ATOM 958 C PRO A 66 66.276 -3.751 -9.826 1.00 0.00 C ATOM 959 O PRO A 66 66.972 -4.230 -8.950 1.00 0.00 O ATOM 960 CB PRO A 66 67.337 -3.211 -12.040 1.00 0.00 C ATOM 961 CG PRO A 66 68.770 -3.516 -11.770 1.00 0.00 C ATOM 962 CD PRO A 66 69.260 -2.458 -10.819 1.00 0.00 C ATOM 0 HA PRO A 66 66.003 -1.926 -10.860 1.00 0.00 H new ATOM 0 HB2 PRO A 66 66.787 -4.107 -12.326 1.00 0.00 H new ATOM 0 HB3 PRO A 66 67.229 -2.496 -12.856 1.00 0.00 H new ATOM 0 HG2 PRO A 66 68.880 -4.509 -11.335 1.00 0.00 H new ATOM 0 HG3 PRO A 66 69.349 -3.506 -12.693 1.00 0.00 H new ATOM 0 HD2 PRO A 66 70.004 -2.856 -10.129 1.00 0.00 H new ATOM 0 HD3 PRO A 66 69.729 -1.630 -11.351 1.00 0.00 H new ATOM 970 N SER A 67 65.047 -4.163 -10.041 1.00 0.00 N ATOM 971 CA SER A 67 64.463 -5.278 -9.234 1.00 0.00 C ATOM 972 C SER A 67 64.477 -6.587 -10.054 1.00 0.00 C ATOM 973 O SER A 67 64.264 -6.533 -11.249 1.00 0.00 O ATOM 974 CB SER A 67 63.021 -4.851 -8.951 1.00 0.00 C ATOM 975 OG SER A 67 63.008 -3.518 -8.464 1.00 0.00 O ATOM 0 H SER A 67 64.422 -3.771 -10.745 1.00 0.00 H new ATOM 0 HA SER A 67 65.024 -5.461 -8.318 1.00 0.00 H new ATOM 0 HB2 SER A 67 62.424 -4.923 -9.860 1.00 0.00 H new ATOM 0 HB3 SER A 67 62.569 -5.521 -8.219 1.00 0.00 H new ATOM 0 HG SER A 67 63.927 -3.221 -8.300 1.00 0.00 H new ATOM 981 N PRO A 68 64.723 -7.734 -9.429 1.00 0.00 N ATOM 982 CA PRO A 68 65.421 -7.842 -8.105 1.00 0.00 C ATOM 983 C PRO A 68 66.912 -7.521 -8.258 1.00 0.00 C ATOM 984 O PRO A 68 67.444 -7.543 -9.354 1.00 0.00 O ATOM 985 CB PRO A 68 65.222 -9.306 -7.718 1.00 0.00 C ATOM 986 CG PRO A 68 65.064 -10.014 -9.019 1.00 0.00 C ATOM 987 CD PRO A 68 64.347 -9.063 -9.935 1.00 0.00 C ATOM 0 HA PRO A 68 65.034 -7.148 -7.358 1.00 0.00 H new ATOM 0 HB2 PRO A 68 66.075 -9.689 -7.158 1.00 0.00 H new ATOM 0 HB3 PRO A 68 64.343 -9.434 -7.086 1.00 0.00 H new ATOM 0 HG2 PRO A 68 66.034 -10.292 -9.430 1.00 0.00 H new ATOM 0 HG3 PRO A 68 64.495 -10.935 -8.893 1.00 0.00 H new ATOM 0 HD2 PRO A 68 64.655 -9.198 -10.972 1.00 0.00 H new ATOM 0 HD3 PRO A 68 63.268 -9.213 -9.901 1.00 0.00 H new ATOM 995 N LEU A 69 67.581 -7.223 -7.165 1.00 0.00 N ATOM 996 CA LEU A 69 69.074 -7.081 -7.194 1.00 0.00 C ATOM 997 C LEU A 69 69.695 -7.648 -5.912 1.00 0.00 C ATOM 998 O LEU A 69 69.044 -7.723 -4.884 1.00 0.00 O ATOM 999 CB LEU A 69 69.352 -5.574 -7.337 1.00 0.00 C ATOM 1000 CG LEU A 69 68.778 -4.780 -6.144 1.00 0.00 C ATOM 1001 CD1 LEU A 69 69.824 -4.710 -5.021 1.00 0.00 C ATOM 1002 CD2 LEU A 69 68.405 -3.356 -6.590 1.00 0.00 C ATOM 0 H LEU A 69 67.154 -7.072 -6.251 1.00 0.00 H new ATOM 0 HA LEU A 69 69.517 -7.638 -8.019 1.00 0.00 H new ATOM 0 HB2 LEU A 69 70.427 -5.406 -7.405 1.00 0.00 H new ATOM 0 HB3 LEU A 69 68.913 -5.208 -8.265 1.00 0.00 H new ATOM 0 HG LEU A 69 67.884 -5.284 -5.778 1.00 0.00 H new ATOM 0 HD11 LEU A 69 69.417 -4.149 -4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 69 70.077 -5.719 -4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 69 70.721 -4.212 -5.390 1.00 0.00 H new ATOM 0 HD21 LEU A 69 68.001 -2.803 -5.742 1.00 0.00 H new ATOM 0 HD22 LEU A 69 69.293 -2.848 -6.964 1.00 0.00 H new ATOM 0 HD23 LEU A 69 67.656 -3.407 -7.380 1.00 0.00 H new ATOM 1014 N ARG A 70 70.945 -8.046 -5.976 1.00 0.00 N ATOM 1015 CA ARG A 70 71.704 -8.399 -4.737 1.00 0.00 C ATOM 1016 C ARG A 70 72.478 -7.177 -4.236 1.00 0.00 C ATOM 1017 O ARG A 70 72.976 -6.390 -5.021 1.00 0.00 O ATOM 1018 CB ARG A 70 72.670 -9.516 -5.150 1.00 0.00 C ATOM 1019 CG ARG A 70 72.006 -10.880 -4.946 1.00 0.00 C ATOM 1020 CD ARG A 70 72.797 -11.953 -5.702 1.00 0.00 C ATOM 1021 NE ARG A 70 72.038 -13.234 -5.503 1.00 0.00 N ATOM 1022 CZ ARG A 70 72.611 -14.421 -5.622 1.00 0.00 C ATOM 1023 NH1 ARG A 70 73.878 -14.570 -5.944 1.00 0.00 N ATOM 1024 NH2 ARG A 70 71.886 -15.489 -5.421 1.00 0.00 N ATOM 0 H ARG A 70 71.474 -8.141 -6.843 1.00 0.00 H new ATOM 0 HA ARG A 70 71.046 -8.720 -3.929 1.00 0.00 H new ATOM 0 HB2 ARG A 70 72.956 -9.394 -6.195 1.00 0.00 H new ATOM 0 HB3 ARG A 70 73.584 -9.455 -4.560 1.00 0.00 H new ATOM 0 HG2 ARG A 70 71.968 -11.122 -3.884 1.00 0.00 H new ATOM 0 HG3 ARG A 70 70.977 -10.852 -5.304 1.00 0.00 H new ATOM 0 HD2 ARG A 70 72.878 -11.706 -6.761 1.00 0.00 H new ATOM 0 HD3 ARG A 70 73.813 -12.036 -5.315 1.00 0.00 H new ATOM 0 HE ARG A 70 71.047 -13.187 -5.268 1.00 0.00 H new ATOM 0 HH11 ARG A 70 74.461 -13.750 -6.113 1.00 0.00 H new ATOM 0 HH12 ARG A 70 74.277 -15.505 -6.024 1.00 0.00 H new ATOM 0 HH21 ARG A 70 70.900 -15.397 -5.178 1.00 0.00 H new ATOM 0 HH22 ARG A 70 72.306 -16.414 -5.507 1.00 0.00 H new ATOM 1038 N VAL A 71 72.574 -7.023 -2.935 1.00 0.00 N ATOM 1039 CA VAL A 71 73.295 -5.842 -2.352 1.00 0.00 C ATOM 1040 C VAL A 71 74.796 -6.155 -2.280 1.00 0.00 C ATOM 1041 O VAL A 71 75.191 -7.205 -1.806 1.00 0.00 O ATOM 1042 CB VAL A 71 72.694 -5.636 -0.945 1.00 0.00 C ATOM 1043 CG1 VAL A 71 73.373 -4.455 -0.239 1.00 0.00 C ATOM 1044 CG2 VAL A 71 71.193 -5.338 -1.058 1.00 0.00 C ATOM 0 H VAL A 71 72.182 -7.667 -2.248 1.00 0.00 H new ATOM 0 HA VAL A 71 73.181 -4.939 -2.952 1.00 0.00 H new ATOM 0 HB VAL A 71 72.855 -6.547 -0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 71 72.937 -4.324 0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 71 74.440 -4.654 -0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 71 73.224 -3.547 -0.824 1.00 0.00 H new ATOM 0 HG21 VAL A 71 70.775 -5.194 -0.062 1.00 0.00 H new ATOM 0 HG22 VAL A 71 71.045 -4.434 -1.648 1.00 0.00 H new ATOM 0 HG23 VAL A 71 70.692 -6.175 -1.544 1.00 0.00 H new ATOM 1054 N GLU A 72 75.621 -5.247 -2.752 1.00 0.00 N ATOM 1055 CA GLU A 72 77.103 -5.459 -2.721 1.00 0.00 C ATOM 1056 C GLU A 72 77.800 -4.227 -2.142 1.00 0.00 C ATOM 1057 O GLU A 72 77.161 -3.241 -1.821 1.00 0.00 O ATOM 1058 CB GLU A 72 77.515 -5.655 -4.184 1.00 0.00 C ATOM 1059 CG GLU A 72 76.901 -6.945 -4.733 1.00 0.00 C ATOM 1060 CD GLU A 72 77.580 -8.158 -4.093 1.00 0.00 C ATOM 1061 OE1 GLU A 72 78.796 -8.149 -3.995 1.00 0.00 O ATOM 1062 OE2 GLU A 72 76.873 -9.077 -3.711 1.00 0.00 O ATOM 0 H GLU A 72 75.326 -4.360 -3.161 1.00 0.00 H new ATOM 0 HA GLU A 72 77.379 -6.311 -2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 72 77.186 -4.804 -4.780 1.00 0.00 H new ATOM 0 HB3 GLU A 72 78.601 -5.698 -4.262 1.00 0.00 H new ATOM 0 HG2 GLU A 72 75.831 -6.965 -4.527 1.00 0.00 H new ATOM 0 HG3 GLU A 72 77.018 -6.981 -5.816 1.00 0.00 H new ATOM 1069 N ASP A 73 79.107 -4.287 -2.007 1.00 0.00 N ATOM 1070 CA ASP A 73 79.907 -3.053 -1.684 1.00 0.00 C ATOM 1071 C ASP A 73 79.761 -1.999 -2.792 1.00 0.00 C ATOM 1072 O ASP A 73 79.876 -0.811 -2.536 1.00 0.00 O ATOM 1073 CB ASP A 73 81.366 -3.514 -1.588 1.00 0.00 C ATOM 1074 CG ASP A 73 82.218 -2.393 -0.990 1.00 0.00 C ATOM 1075 OD1 ASP A 73 82.259 -2.291 0.226 1.00 0.00 O ATOM 1076 OD2 ASP A 73 82.816 -1.656 -1.756 1.00 0.00 O ATOM 0 H ASP A 73 79.658 -5.140 -2.107 1.00 0.00 H new ATOM 0 HA ASP A 73 79.562 -2.593 -0.758 1.00 0.00 H new ATOM 0 HB2 ASP A 73 81.436 -4.408 -0.968 1.00 0.00 H new ATOM 0 HB3 ASP A 73 81.740 -3.781 -2.576 1.00 0.00 H new ATOM 1081 N ARG A 74 79.509 -2.427 -4.012 1.00 0.00 N ATOM 1082 CA ARG A 74 79.358 -1.460 -5.150 1.00 0.00 C ATOM 1083 C ARG A 74 77.937 -0.869 -5.203 1.00 0.00 C ATOM 1084 O ARG A 74 77.731 0.179 -5.793 1.00 0.00 O ATOM 1085 CB ARG A 74 79.678 -2.253 -6.433 1.00 0.00 C ATOM 1086 CG ARG A 74 78.711 -3.434 -6.619 1.00 0.00 C ATOM 1087 CD ARG A 74 78.765 -3.912 -8.074 1.00 0.00 C ATOM 1088 NE ARG A 74 77.683 -4.948 -8.202 1.00 0.00 N ATOM 1089 CZ ARG A 74 77.138 -5.260 -9.366 1.00 0.00 C ATOM 1090 NH1 ARG A 74 77.514 -4.705 -10.498 1.00 0.00 N ATOM 1091 NH2 ARG A 74 76.194 -6.161 -9.393 1.00 0.00 N ATOM 0 H ARG A 74 79.401 -3.409 -4.267 1.00 0.00 H new ATOM 0 HA ARG A 74 80.031 -0.611 -5.031 1.00 0.00 H new ATOM 0 HB2 ARG A 74 79.616 -1.591 -7.297 1.00 0.00 H new ATOM 0 HB3 ARG A 74 80.702 -2.623 -6.388 1.00 0.00 H new ATOM 0 HG2 ARG A 74 78.981 -4.249 -5.947 1.00 0.00 H new ATOM 0 HG3 ARG A 74 77.696 -3.131 -6.362 1.00 0.00 H new ATOM 0 HD2 ARG A 74 78.599 -3.085 -8.764 1.00 0.00 H new ATOM 0 HD3 ARG A 74 79.741 -4.334 -8.312 1.00 0.00 H new ATOM 0 HE ARG A 74 77.358 -5.427 -7.362 1.00 0.00 H new ATOM 0 HH11 ARG A 74 78.254 -4.003 -10.501 1.00 0.00 H new ATOM 0 HH12 ARG A 74 77.065 -4.977 -11.373 1.00 0.00 H new ATOM 0 HH21 ARG A 74 75.891 -6.608 -8.528 1.00 0.00 H new ATOM 0 HH22 ARG A 74 75.759 -6.418 -10.279 1.00 0.00 H new ATOM 1105 N THR A 75 76.967 -1.526 -4.598 1.00 0.00 N ATOM 1106 CA THR A 75 75.570 -0.977 -4.574 1.00 0.00 C ATOM 1107 C THR A 75 75.442 0.095 -3.489 1.00 0.00 C ATOM 1108 O THR A 75 75.835 -0.118 -2.355 1.00 0.00 O ATOM 1109 CB THR A 75 74.658 -2.167 -4.257 1.00 0.00 C ATOM 1110 OG1 THR A 75 75.019 -3.272 -5.074 1.00 0.00 O ATOM 1111 CG2 THR A 75 73.203 -1.783 -4.530 1.00 0.00 C ATOM 0 H THR A 75 77.085 -2.419 -4.120 1.00 0.00 H new ATOM 0 HA THR A 75 75.304 -0.511 -5.523 1.00 0.00 H new ATOM 0 HB THR A 75 74.770 -2.440 -3.208 1.00 0.00 H new ATOM 0 HG1 THR A 75 74.957 -3.015 -6.018 1.00 0.00 H new ATOM 0 HG21 THR A 75 72.555 -2.630 -4.304 1.00 0.00 H new ATOM 0 HG22 THR A 75 72.926 -0.936 -3.902 1.00 0.00 H new ATOM 0 HG23 THR A 75 73.090 -1.509 -5.579 1.00 0.00 H new ATOM 1119 N LYS A 76 74.897 1.240 -3.836 1.00 0.00 N ATOM 1120 CA LYS A 76 74.733 2.348 -2.841 1.00 0.00 C ATOM 1121 C LYS A 76 73.393 2.210 -2.114 1.00 0.00 C ATOM 1122 O LYS A 76 72.410 1.791 -2.699 1.00 0.00 O ATOM 1123 CB LYS A 76 74.762 3.642 -3.662 1.00 0.00 C ATOM 1124 CG LYS A 76 76.150 3.829 -4.279 1.00 0.00 C ATOM 1125 CD LYS A 76 76.183 5.135 -5.076 1.00 0.00 C ATOM 1126 CE LYS A 76 77.440 5.171 -5.946 1.00 0.00 C ATOM 1127 NZ LYS A 76 77.255 6.347 -6.841 1.00 0.00 N ATOM 0 H LYS A 76 74.557 1.454 -4.773 1.00 0.00 H new ATOM 0 HA LYS A 76 75.515 2.333 -2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 76 74.007 3.603 -4.447 1.00 0.00 H new ATOM 0 HB3 LYS A 76 74.518 4.493 -3.026 1.00 0.00 H new ATOM 0 HG2 LYS A 76 76.908 3.849 -3.496 1.00 0.00 H new ATOM 0 HG3 LYS A 76 76.387 2.987 -4.930 1.00 0.00 H new ATOM 0 HD2 LYS A 76 75.293 5.215 -5.701 1.00 0.00 H new ATOM 0 HD3 LYS A 76 76.173 5.988 -4.397 1.00 0.00 H new ATOM 0 HE2 LYS A 76 78.338 5.275 -5.338 1.00 0.00 H new ATOM 0 HE3 LYS A 76 77.549 4.251 -6.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 78.079 6.438 -7.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 76.396 6.216 -7.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 77.161 7.209 -6.267 1.00 0.00 H new ATOM 1141 N ILE A 77 73.352 2.558 -0.847 1.00 0.00 N ATOM 1142 CA ILE A 77 72.070 2.486 -0.070 1.00 0.00 C ATOM 1143 C ILE A 77 71.791 3.851 0.576 1.00 0.00 C ATOM 1144 O ILE A 77 72.680 4.470 1.135 1.00 0.00 O ATOM 1145 CB ILE A 77 72.289 1.387 0.991 1.00 0.00 C ATOM 1146 CG1 ILE A 77 72.571 0.046 0.300 1.00 0.00 C ATOM 1147 CG2 ILE A 77 71.036 1.233 1.864 1.00 0.00 C ATOM 1148 CD1 ILE A 77 73.109 -0.959 1.321 1.00 0.00 C ATOM 0 H ILE A 77 74.156 2.891 -0.315 1.00 0.00 H new ATOM 0 HA ILE A 77 71.209 2.248 -0.694 1.00 0.00 H new ATOM 0 HB ILE A 77 73.137 1.674 1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 77 71.658 -0.338 -0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 77 73.294 0.185 -0.503 1.00 0.00 H new ATOM 0 HG21 ILE A 77 71.204 0.454 2.608 1.00 0.00 H new ATOM 0 HG22 ILE A 77 70.825 2.177 2.367 1.00 0.00 H new ATOM 0 HG23 ILE A 77 70.187 0.958 1.237 1.00 0.00 H new ATOM 0 HD11 ILE A 77 73.308 -1.910 0.826 1.00 0.00 H new ATOM 0 HD12 ILE A 77 74.032 -0.577 1.756 1.00 0.00 H new ATOM 0 HD13 ILE A 77 72.371 -1.108 2.109 1.00 0.00 H new ATOM 1160 N THR A 78 70.561 4.308 0.497 1.00 0.00 N ATOM 1161 CA THR A 78 70.203 5.655 1.043 1.00 0.00 C ATOM 1162 C THR A 78 69.044 5.534 2.036 1.00 0.00 C ATOM 1163 O THR A 78 68.122 4.765 1.828 1.00 0.00 O ATOM 1164 CB THR A 78 69.776 6.472 -0.178 1.00 0.00 C ATOM 1165 OG1 THR A 78 70.758 6.351 -1.196 1.00 0.00 O ATOM 1166 CG2 THR A 78 69.630 7.943 0.218 1.00 0.00 C ATOM 0 H THR A 78 69.785 3.799 0.074 1.00 0.00 H new ATOM 0 HA THR A 78 71.032 6.118 1.578 1.00 0.00 H new ATOM 0 HB THR A 78 68.821 6.099 -0.549 1.00 0.00 H new ATOM 0 HG1 THR A 78 70.484 6.873 -1.979 1.00 0.00 H new ATOM 0 HG21 THR A 78 69.326 8.525 -0.652 1.00 0.00 H new ATOM 0 HG22 THR A 78 68.876 8.036 0.999 1.00 0.00 H new ATOM 0 HG23 THR A 78 70.585 8.316 0.589 1.00 0.00 H new ATOM 1174 N LEU A 79 69.094 6.293 3.109 1.00 0.00 N ATOM 1175 CA LEU A 79 67.968 6.312 4.092 1.00 0.00 C ATOM 1176 C LEU A 79 67.089 7.546 3.868 1.00 0.00 C ATOM 1177 O LEU A 79 67.579 8.661 3.842 1.00 0.00 O ATOM 1178 CB LEU A 79 68.638 6.377 5.465 1.00 0.00 C ATOM 1179 CG LEU A 79 69.371 5.064 5.744 1.00 0.00 C ATOM 1180 CD1 LEU A 79 70.278 5.235 6.965 1.00 0.00 C ATOM 1181 CD2 LEU A 79 68.349 3.958 6.023 1.00 0.00 C ATOM 0 H LEU A 79 69.876 6.904 3.344 1.00 0.00 H new ATOM 0 HA LEU A 79 67.323 5.439 3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 79 69.340 7.211 5.499 1.00 0.00 H new ATOM 0 HB3 LEU A 79 67.890 6.558 6.237 1.00 0.00 H new ATOM 0 HG LEU A 79 69.974 4.794 4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 79 70.800 4.299 7.164 1.00 0.00 H new ATOM 0 HD12 LEU A 79 71.006 6.023 6.770 1.00 0.00 H new ATOM 0 HD13 LEU A 79 69.674 5.505 7.832 1.00 0.00 H new ATOM 0 HD21 LEU A 79 68.871 3.022 6.222 1.00 0.00 H new ATOM 0 HD22 LEU A 79 67.747 4.229 6.890 1.00 0.00 H new ATOM 0 HD23 LEU A 79 67.701 3.835 5.156 1.00 0.00 H new ATOM 1193 N VAL A 80 65.800 7.345 3.707 1.00 0.00 N ATOM 1194 CA VAL A 80 64.857 8.495 3.534 1.00 0.00 C ATOM 1195 C VAL A 80 64.256 8.872 4.895 1.00 0.00 C ATOM 1196 O VAL A 80 63.807 8.014 5.636 1.00 0.00 O ATOM 1197 CB VAL A 80 63.766 7.995 2.564 1.00 0.00 C ATOM 1198 CG1 VAL A 80 62.723 9.095 2.319 1.00 0.00 C ATOM 1199 CG2 VAL A 80 64.395 7.612 1.218 1.00 0.00 C ATOM 0 H VAL A 80 65.360 6.425 3.688 1.00 0.00 H new ATOM 0 HA VAL A 80 65.350 9.385 3.141 1.00 0.00 H new ATOM 0 HB VAL A 80 63.285 7.126 3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 80 61.960 8.727 1.633 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.257 9.372 3.265 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.210 9.968 1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 80 63.617 7.260 0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 80 64.887 8.483 0.785 1.00 0.00 H new ATOM 0 HG23 VAL A 80 65.128 6.820 1.371 1.00 0.00 H new