USER MOD reduce.3.24.130724 H: found=0, std=0, add=1003, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1003 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 83 THR OG1 : rot 88:sc= 0.675 USER MOD Set 1.2: A 95 THR OG1 : rot 96:sc= 0.033 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -1.19 K(o=-1.2,f=-5.4!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.105 X(o=-0.11,f=-0.51) USER MOD Single : A 16 ASN : amide:sc= -0.205 X(o=-0.2,f=-0.024) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0.016 X(o=0.016,f=-0.067) USER MOD Single : A 46 ASN : amide:sc=-0.00504 X(o=-0.005,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -2.33 K(o=-2.3,f=-4!) USER MOD Single : A 51 LYS NZ :NH3+ 149:sc= -0.426 (180deg=-1.92!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 55:sc= 0.604 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.059 K(o=-0.059,f=-1.4!) USER MOD Single : A 63 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.33) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -160:sc= -0.339 USER MOD Single : A 76 MET CE :methyl -176:sc= 0 (180deg=-0.0101) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 91 ASN : amide:sc= -1.53 K(o=-1.5,f=-2.6!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.261 K(o=-0.26,f=-1.5!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -55:sc= 1.22 USER MOD Single : A 104 THR OG1 : rot 90:sc= 0.123 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -2.88! C(o=-2.9!,f=-10!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 67 N SER A 6 -12.756 -7.263 -6.141 1.00 0.00 N ATOM 68 CA SER A 6 -12.986 -5.829 -6.094 1.00 0.00 C ATOM 69 C SER A 6 -13.573 -5.438 -4.736 1.00 0.00 C ATOM 70 O SER A 6 -14.766 -5.160 -4.628 1.00 0.00 O ATOM 71 CB SER A 6 -13.918 -5.383 -7.223 1.00 0.00 C ATOM 72 OG SER A 6 -13.334 -4.359 -8.023 1.00 0.00 O ATOM 0 HA SER A 6 -12.029 -5.324 -6.229 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.162 -6.239 -7.852 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.855 -5.022 -6.799 1.00 0.00 H new ATOM 0 HG SER A 6 -13.959 -4.103 -8.733 1.00 0.00 H new ATOM 78 N GLY A 7 -12.707 -5.429 -3.733 1.00 0.00 N ATOM 79 CA GLY A 7 -13.124 -5.076 -2.387 1.00 0.00 C ATOM 80 C GLY A 7 -12.769 -3.622 -2.065 1.00 0.00 C ATOM 81 O GLY A 7 -12.132 -2.944 -2.869 1.00 0.00 O ATOM 0 H GLY A 7 -11.718 -5.661 -3.826 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.199 -5.222 -2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.643 -5.739 -1.668 1.00 0.00 H new ATOM 85 N LYS A 8 -13.197 -3.189 -0.889 1.00 0.00 N ATOM 86 CA LYS A 8 -12.933 -1.828 -0.452 1.00 0.00 C ATOM 87 C LYS A 8 -12.505 -1.844 1.017 1.00 0.00 C ATOM 88 O LYS A 8 -13.137 -2.500 1.844 1.00 0.00 O ATOM 89 CB LYS A 8 -14.140 -0.932 -0.732 1.00 0.00 C ATOM 90 CG LYS A 8 -14.280 -0.652 -2.230 1.00 0.00 C ATOM 91 CD LYS A 8 -15.752 -0.610 -2.646 1.00 0.00 C ATOM 92 CE LYS A 8 -16.294 0.820 -2.601 1.00 0.00 C ATOM 93 NZ LYS A 8 -17.151 1.087 -3.778 1.00 0.00 N ATOM 0 H LYS A 8 -13.725 -3.756 -0.225 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.108 -1.398 -1.020 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.046 -1.411 -0.362 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.033 0.008 -0.191 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.803 0.298 -2.472 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.760 -1.424 -2.798 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.861 -1.012 -3.653 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.339 -1.246 -1.984 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -16.866 0.970 -1.686 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.466 1.528 -2.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -17.511 2.062 -3.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.594 0.964 -4.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.951 0.423 -3.783 1.00 0.00 H new ATOM 106 N TYR A 9 -11.437 -1.113 1.296 1.00 0.00 N ATOM 107 CA TYR A 9 -10.917 -1.034 2.651 1.00 0.00 C ATOM 108 C TYR A 9 -10.726 0.422 3.081 1.00 0.00 C ATOM 109 O TYR A 9 -10.468 1.290 2.249 1.00 0.00 O ATOM 110 CB TYR A 9 -9.554 -1.727 2.621 1.00 0.00 C ATOM 111 CG TYR A 9 -9.629 -3.238 2.393 1.00 0.00 C ATOM 112 CD1 TYR A 9 -10.094 -4.065 3.396 1.00 0.00 C ATOM 113 CD2 TYR A 9 -9.232 -3.775 1.185 1.00 0.00 C ATOM 114 CE1 TYR A 9 -10.165 -5.487 3.181 1.00 0.00 C ATOM 115 CE2 TYR A 9 -9.303 -5.196 0.970 1.00 0.00 C ATOM 116 CZ TYR A 9 -9.765 -5.982 1.979 1.00 0.00 C ATOM 117 OH TYR A 9 -9.832 -7.326 1.775 1.00 0.00 O ATOM 0 H TYR A 9 -10.917 -0.570 0.607 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.607 -1.500 3.354 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -8.948 -1.281 1.832 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -9.041 -1.537 3.564 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -10.404 -3.645 4.342 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -8.868 -3.128 0.401 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -10.528 -6.145 3.956 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -8.996 -5.628 0.029 1.00 0.00 H new ATOM 0 HH TYR A 9 -9.515 -7.536 0.872 1.00 0.00 H new ATOM 127 N GLN A 10 -10.862 0.644 4.380 1.00 0.00 N ATOM 128 CA GLN A 10 -10.708 1.980 4.931 1.00 0.00 C ATOM 129 C GLN A 10 -9.718 1.963 6.098 1.00 0.00 C ATOM 130 O GLN A 10 -9.760 1.064 6.938 1.00 0.00 O ATOM 131 CB GLN A 10 -12.058 2.554 5.367 1.00 0.00 C ATOM 132 CG GLN A 10 -12.300 3.926 4.736 1.00 0.00 C ATOM 133 CD GLN A 10 -13.794 4.246 4.674 1.00 0.00 C ATOM 134 OE1 GLN A 10 -14.467 4.004 3.685 1.00 0.00 O ATOM 135 NE2 GLN A 10 -14.276 4.800 5.783 1.00 0.00 N ATOM 0 H GLN A 10 -11.077 -0.079 5.067 1.00 0.00 H new ATOM 0 HA GLN A 10 -10.310 2.628 4.151 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.857 1.871 5.079 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -12.087 2.639 6.453 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.784 4.692 5.315 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -11.878 3.947 3.731 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -13.658 4.976 6.575 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -15.263 5.049 5.841 1.00 0.00 H new ATOM 144 N LEU A 11 -8.851 2.964 6.113 1.00 0.00 N ATOM 145 CA LEU A 11 -7.852 3.075 7.162 1.00 0.00 C ATOM 146 C LEU A 11 -8.510 2.796 8.515 1.00 0.00 C ATOM 147 O LEU A 11 -9.561 3.355 8.827 1.00 0.00 O ATOM 148 CB LEU A 11 -7.146 4.430 7.089 1.00 0.00 C ATOM 149 CG LEU A 11 -7.926 5.625 7.639 1.00 0.00 C ATOM 150 CD1 LEU A 11 -9.308 5.724 6.987 1.00 0.00 C ATOM 151 CD2 LEU A 11 -8.016 5.566 9.165 1.00 0.00 C ATOM 0 H LEU A 11 -8.820 3.707 5.414 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.070 2.328 7.026 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.204 4.356 7.632 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.898 4.632 6.047 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.382 6.535 7.384 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.842 6.582 7.395 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.194 5.847 5.910 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.873 4.814 7.191 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.576 6.427 9.530 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.524 4.650 9.464 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.012 5.579 9.589 1.00 0.00 H new ATOM 163 N GLN A 12 -7.862 1.933 9.285 1.00 0.00 N ATOM 164 CA GLN A 12 -8.370 1.574 10.598 1.00 0.00 C ATOM 165 C GLN A 12 -7.469 2.153 11.691 1.00 0.00 C ATOM 166 O GLN A 12 -7.827 3.134 12.341 1.00 0.00 O ATOM 167 CB GLN A 12 -8.499 0.056 10.740 1.00 0.00 C ATOM 168 CG GLN A 12 -9.914 -0.409 10.392 1.00 0.00 C ATOM 169 CD GLN A 12 -10.911 0.013 11.475 1.00 0.00 C ATOM 170 OE1 GLN A 12 -10.784 1.053 12.101 1.00 0.00 O ATOM 171 NE2 GLN A 12 -11.907 -0.848 11.659 1.00 0.00 N ATOM 0 H GLN A 12 -6.990 1.472 9.024 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.366 2.002 10.711 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.779 -0.436 10.086 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.256 -0.239 11.761 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.214 0.012 9.432 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.928 -1.493 10.282 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.954 -1.700 11.101 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.624 -0.656 12.358 1.00 0.00 H new ATOM 180 N SER A 13 -6.319 1.519 11.862 1.00 0.00 N ATOM 181 CA SER A 13 -5.364 1.959 12.866 1.00 0.00 C ATOM 182 C SER A 13 -3.960 2.020 12.262 1.00 0.00 C ATOM 183 O SER A 13 -3.646 1.273 11.337 1.00 0.00 O ATOM 184 CB SER A 13 -5.379 1.032 14.084 1.00 0.00 C ATOM 185 OG SER A 13 -6.432 1.354 14.987 1.00 0.00 O ATOM 0 H SER A 13 -6.026 0.704 11.323 1.00 0.00 H new ATOM 0 HA SER A 13 -5.652 2.956 13.199 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.489 -0.000 13.752 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.423 1.100 14.603 1.00 0.00 H new ATOM 0 HG SER A 13 -6.409 0.739 15.750 1.00 0.00 H new ATOM 191 N GLN A 14 -3.153 2.916 12.811 1.00 0.00 N ATOM 192 CA GLN A 14 -1.789 3.084 12.337 1.00 0.00 C ATOM 193 C GLN A 14 -0.848 3.352 13.514 1.00 0.00 C ATOM 194 O GLN A 14 -1.269 3.883 14.541 1.00 0.00 O ATOM 195 CB GLN A 14 -1.703 4.205 11.300 1.00 0.00 C ATOM 196 CG GLN A 14 -2.310 5.501 11.841 1.00 0.00 C ATOM 197 CD GLN A 14 -3.763 5.656 11.388 1.00 0.00 C ATOM 198 OE1 GLN A 14 -4.084 5.601 10.212 1.00 0.00 O ATOM 199 NE2 GLN A 14 -4.622 5.854 12.384 1.00 0.00 N ATOM 0 H GLN A 14 -3.417 3.533 13.579 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.477 2.160 11.851 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.661 4.373 11.027 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.226 3.906 10.392 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.263 5.502 12.930 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.725 6.353 11.495 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.287 5.889 13.347 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.616 5.970 12.185 1.00 0.00 H new ATOM 208 N GLU A 15 0.407 2.973 13.325 1.00 0.00 N ATOM 209 CA GLU A 15 1.411 3.166 14.358 1.00 0.00 C ATOM 210 C GLU A 15 2.521 4.090 13.852 1.00 0.00 C ATOM 211 O GLU A 15 3.211 3.767 12.887 1.00 0.00 O ATOM 212 CB GLU A 15 1.983 1.826 14.823 1.00 0.00 C ATOM 213 CG GLU A 15 1.797 1.644 16.331 1.00 0.00 C ATOM 214 CD GLU A 15 2.946 0.832 16.932 1.00 0.00 C ATOM 215 OE1 GLU A 15 4.065 0.850 16.397 1.00 0.00 O ATOM 216 OE2 GLU A 15 2.645 0.163 17.993 1.00 0.00 O ATOM 0 H GLU A 15 0.752 2.533 12.472 1.00 0.00 H new ATOM 0 HA GLU A 15 0.935 3.638 15.217 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.490 1.012 14.291 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.043 1.773 14.575 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.745 2.619 16.815 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.850 1.140 16.526 1.00 0.00 H new ATOM 224 N ASN A 16 2.658 5.221 14.528 1.00 0.00 N ATOM 225 CA ASN A 16 3.672 6.195 14.161 1.00 0.00 C ATOM 226 C ASN A 16 3.748 6.294 12.636 1.00 0.00 C ATOM 227 O ASN A 16 4.772 5.965 12.039 1.00 0.00 O ATOM 228 CB ASN A 16 5.050 5.776 14.676 1.00 0.00 C ATOM 229 CG ASN A 16 5.303 6.333 16.079 1.00 0.00 C ATOM 230 OD1 ASN A 16 5.510 5.605 17.036 1.00 0.00 O ATOM 231 ND2 ASN A 16 5.275 7.661 16.146 1.00 0.00 N ATOM 0 H ASN A 16 2.083 5.485 15.328 1.00 0.00 H new ATOM 0 HA ASN A 16 3.397 7.152 14.604 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.120 4.688 14.694 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.821 6.134 13.994 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.433 8.130 17.038 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.096 8.210 15.305 1.00 0.00 H new ATOM 238 N PHE A 17 2.651 6.748 12.049 1.00 0.00 N ATOM 239 CA PHE A 17 2.580 6.895 10.605 1.00 0.00 C ATOM 240 C PHE A 17 3.421 8.082 10.132 1.00 0.00 C ATOM 241 O PHE A 17 4.191 7.963 9.180 1.00 0.00 O ATOM 242 CB PHE A 17 1.114 7.151 10.252 1.00 0.00 C ATOM 243 CG PHE A 17 0.500 8.350 10.978 1.00 0.00 C ATOM 244 CD1 PHE A 17 0.575 9.591 10.425 1.00 0.00 C ATOM 245 CD2 PHE A 17 -0.121 8.176 12.175 1.00 0.00 C ATOM 246 CE1 PHE A 17 0.006 10.704 11.098 1.00 0.00 C ATOM 247 CE2 PHE A 17 -0.691 9.289 12.848 1.00 0.00 C ATOM 248 CZ PHE A 17 -0.616 10.530 12.296 1.00 0.00 C ATOM 0 H PHE A 17 1.803 7.019 12.547 1.00 0.00 H new ATOM 0 HA PHE A 17 2.964 5.997 10.121 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.032 7.309 9.177 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.533 6.260 10.488 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.068 9.729 9.474 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.181 7.191 12.614 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.067 11.689 10.659 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.184 9.150 13.799 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.050 11.376 12.808 1.00 0.00 H new ATOM 258 N GLU A 18 3.245 9.202 10.820 1.00 0.00 N ATOM 259 CA GLU A 18 3.978 10.410 10.483 1.00 0.00 C ATOM 260 C GLU A 18 5.480 10.122 10.427 1.00 0.00 C ATOM 261 O GLU A 18 6.168 10.569 9.511 1.00 0.00 O ATOM 262 CB GLU A 18 3.672 11.532 11.476 1.00 0.00 C ATOM 263 CG GLU A 18 2.581 12.459 10.937 1.00 0.00 C ATOM 264 CD GLU A 18 1.663 12.940 12.063 1.00 0.00 C ATOM 265 OE1 GLU A 18 1.449 12.211 13.043 1.00 0.00 O ATOM 266 OE2 GLU A 18 1.165 14.118 11.896 1.00 0.00 O ATOM 0 H GLU A 18 2.605 9.297 11.609 1.00 0.00 H new ATOM 0 HA GLU A 18 3.655 10.744 9.497 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.354 11.104 12.427 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.578 12.106 11.672 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.039 13.317 10.445 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.994 11.935 10.183 1.00 0.00 H new ATOM 274 N ALA A 19 5.945 9.377 11.421 1.00 0.00 N ATOM 275 CA ALA A 19 7.352 9.025 11.497 1.00 0.00 C ATOM 276 C ALA A 19 7.808 8.472 10.145 1.00 0.00 C ATOM 277 O ALA A 19 8.867 8.847 9.642 1.00 0.00 O ATOM 278 CB ALA A 19 7.567 8.028 12.637 1.00 0.00 C ATOM 0 H ALA A 19 5.371 9.008 12.180 1.00 0.00 H new ATOM 0 HA ALA A 19 7.957 9.905 11.715 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.623 7.763 12.695 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.254 8.479 13.579 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.978 7.130 12.451 1.00 0.00 H new ATOM 284 N PHE A 20 6.986 7.590 9.595 1.00 0.00 N ATOM 285 CA PHE A 20 7.292 6.982 8.310 1.00 0.00 C ATOM 286 C PHE A 20 7.289 8.028 7.193 1.00 0.00 C ATOM 287 O PHE A 20 7.893 7.821 6.142 1.00 0.00 O ATOM 288 CB PHE A 20 6.197 5.951 8.032 1.00 0.00 C ATOM 289 CG PHE A 20 6.565 4.929 6.954 1.00 0.00 C ATOM 290 CD1 PHE A 20 7.369 3.877 7.261 1.00 0.00 C ATOM 291 CD2 PHE A 20 6.087 5.074 5.688 1.00 0.00 C ATOM 292 CE1 PHE A 20 7.710 2.927 6.261 1.00 0.00 C ATOM 293 CE2 PHE A 20 6.428 4.124 4.689 1.00 0.00 C ATOM 294 CZ PHE A 20 7.231 3.072 4.996 1.00 0.00 C ATOM 0 H PHE A 20 6.109 7.282 10.015 1.00 0.00 H new ATOM 0 HA PHE A 20 8.282 6.526 8.340 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.967 5.422 8.957 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.289 6.473 7.729 1.00 0.00 H new ATOM 0 HD1 PHE A 20 7.749 3.763 8.266 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.449 5.910 5.443 1.00 0.00 H new ATOM 0 HE1 PHE A 20 8.349 2.091 6.505 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.049 4.238 3.684 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.489 2.350 4.235 1.00 0.00 H new ATOM 304 N MET A 21 6.599 9.127 7.459 1.00 0.00 N ATOM 305 CA MET A 21 6.509 10.206 6.489 1.00 0.00 C ATOM 306 C MET A 21 7.662 11.197 6.662 1.00 0.00 C ATOM 307 O MET A 21 8.209 11.695 5.679 1.00 0.00 O ATOM 308 CB MET A 21 5.176 10.937 6.662 1.00 0.00 C ATOM 309 CG MET A 21 4.009 9.949 6.707 1.00 0.00 C ATOM 310 SD MET A 21 3.557 9.465 5.050 1.00 0.00 S ATOM 311 CE MET A 21 1.872 8.945 5.329 1.00 0.00 C ATOM 0 H MET A 21 6.097 9.294 8.331 1.00 0.00 H new ATOM 0 HA MET A 21 6.571 9.777 5.489 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.196 11.524 7.580 1.00 0.00 H new ATOM 0 HB3 MET A 21 5.032 11.638 5.839 1.00 0.00 H new ATOM 0 HG2 MET A 21 4.288 9.070 7.288 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.155 10.405 7.208 1.00 0.00 H new ATOM 0 HE1 MET A 21 1.435 8.609 4.389 1.00 0.00 H new ATOM 0 HE2 MET A 21 1.858 8.127 6.049 1.00 0.00 H new ATOM 0 HE3 MET A 21 1.293 9.782 5.720 1.00 0.00 H new ATOM 321 N LYS A 22 7.997 11.453 7.918 1.00 0.00 N ATOM 322 CA LYS A 22 9.075 12.375 8.231 1.00 0.00 C ATOM 323 C LYS A 22 10.407 11.762 7.795 1.00 0.00 C ATOM 324 O LYS A 22 11.377 12.481 7.557 1.00 0.00 O ATOM 325 CB LYS A 22 9.033 12.765 9.710 1.00 0.00 C ATOM 326 CG LYS A 22 7.836 13.674 10.003 1.00 0.00 C ATOM 327 CD LYS A 22 8.283 14.967 10.688 1.00 0.00 C ATOM 328 CE LYS A 22 7.101 15.671 11.355 1.00 0.00 C ATOM 329 NZ LYS A 22 7.344 17.128 11.436 1.00 0.00 N ATOM 0 H LYS A 22 7.541 11.038 8.731 1.00 0.00 H new ATOM 0 HA LYS A 22 8.954 13.305 7.676 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.972 11.867 10.325 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.957 13.275 9.982 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.319 13.911 9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.123 13.149 10.639 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.045 14.743 11.434 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.740 15.632 9.955 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.189 15.479 10.789 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.946 15.266 12.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.532 17.591 11.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.202 17.306 11.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.469 17.513 10.478 1.00 0.00 H new ATOM 342 N ALA A 23 10.414 10.441 7.705 1.00 0.00 N ATOM 343 CA ALA A 23 11.612 9.724 7.302 1.00 0.00 C ATOM 344 C ALA A 23 12.034 10.188 5.906 1.00 0.00 C ATOM 345 O ALA A 23 13.219 10.384 5.646 1.00 0.00 O ATOM 346 CB ALA A 23 11.348 8.217 7.360 1.00 0.00 C ATOM 0 H ALA A 23 9.609 9.848 7.904 1.00 0.00 H new ATOM 0 HA ALA A 23 12.435 9.938 7.984 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.246 7.678 7.058 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.080 7.933 8.378 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.530 7.965 6.686 1.00 0.00 H new ATOM 352 N ILE A 24 11.039 10.351 5.046 1.00 0.00 N ATOM 353 CA ILE A 24 11.292 10.788 3.683 1.00 0.00 C ATOM 354 C ILE A 24 11.357 12.317 3.647 1.00 0.00 C ATOM 355 O ILE A 24 11.972 12.894 2.752 1.00 0.00 O ATOM 356 CB ILE A 24 10.256 10.194 2.728 1.00 0.00 C ATOM 357 CG1 ILE A 24 8.928 10.949 2.822 1.00 0.00 C ATOM 358 CG2 ILE A 24 10.081 8.694 2.972 1.00 0.00 C ATOM 359 CD1 ILE A 24 8.031 10.631 1.624 1.00 0.00 C ATOM 0 H ILE A 24 10.056 10.188 5.266 1.00 0.00 H new ATOM 0 HA ILE A 24 12.257 10.418 3.337 1.00 0.00 H new ATOM 0 HB ILE A 24 10.623 10.313 1.709 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.416 10.679 3.746 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.117 12.022 2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.339 8.297 2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 24 11.033 8.186 2.814 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.747 8.529 3.996 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.094 11.180 1.715 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.536 10.925 0.704 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.824 9.561 1.599 1.00 0.00 H new ATOM 371 N GLY A 25 10.716 12.928 4.632 1.00 0.00 N ATOM 372 CA GLY A 25 10.693 14.378 4.725 1.00 0.00 C ATOM 373 C GLY A 25 9.337 14.933 4.286 1.00 0.00 C ATOM 374 O GLY A 25 9.270 15.810 3.426 1.00 0.00 O ATOM 0 H GLY A 25 10.208 12.445 5.373 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.901 14.684 5.750 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.482 14.799 4.101 1.00 0.00 H new ATOM 378 N LEU A 26 8.289 14.401 4.897 1.00 0.00 N ATOM 379 CA LEU A 26 6.938 14.832 4.580 1.00 0.00 C ATOM 380 C LEU A 26 6.630 16.125 5.338 1.00 0.00 C ATOM 381 O LEU A 26 6.928 16.239 6.526 1.00 0.00 O ATOM 382 CB LEU A 26 5.937 13.707 4.853 1.00 0.00 C ATOM 383 CG LEU A 26 5.313 13.051 3.620 1.00 0.00 C ATOM 384 CD1 LEU A 26 4.033 13.776 3.203 1.00 0.00 C ATOM 385 CD2 LEU A 26 6.324 12.965 2.474 1.00 0.00 C ATOM 0 H LEU A 26 8.348 13.675 5.611 1.00 0.00 H new ATOM 0 HA LEU A 26 6.849 15.055 3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.439 12.935 5.436 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.134 14.105 5.474 1.00 0.00 H new ATOM 0 HG LEU A 26 5.034 12.030 3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.609 13.290 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.312 13.741 4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.264 14.815 2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.855 12.495 1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.656 13.968 2.206 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.182 12.371 2.789 1.00 0.00 H new ATOM 397 N PRO A 27 6.023 17.093 4.600 1.00 0.00 N ATOM 398 CA PRO A 27 5.671 18.374 5.188 1.00 0.00 C ATOM 399 C PRO A 27 4.444 18.244 6.091 1.00 0.00 C ATOM 400 O PRO A 27 3.810 17.191 6.136 1.00 0.00 O ATOM 401 CB PRO A 27 5.443 19.302 4.006 1.00 0.00 C ATOM 402 CG PRO A 27 5.220 18.398 2.804 1.00 0.00 C ATOM 403 CD PRO A 27 5.656 16.994 3.190 1.00 0.00 C ATOM 0 HA PRO A 27 6.452 18.766 5.839 1.00 0.00 H new ATOM 0 HB2 PRO A 27 4.580 19.946 4.176 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.302 19.954 3.850 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.170 18.405 2.511 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.793 18.754 1.947 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.851 16.274 3.040 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.499 16.661 2.584 1.00 0.00 H new ATOM 411 N GLU A 28 4.144 19.329 6.790 1.00 0.00 N ATOM 412 CA GLU A 28 3.003 19.349 7.689 1.00 0.00 C ATOM 413 C GLU A 28 1.705 19.521 6.897 1.00 0.00 C ATOM 414 O GLU A 28 0.698 18.883 7.203 1.00 0.00 O ATOM 415 CB GLU A 28 3.153 20.451 8.740 1.00 0.00 C ATOM 416 CG GLU A 28 3.094 21.837 8.094 1.00 0.00 C ATOM 417 CD GLU A 28 3.500 22.924 9.090 1.00 0.00 C ATOM 418 OE1 GLU A 28 3.319 22.752 10.305 1.00 0.00 O ATOM 419 OE2 GLU A 28 4.022 23.981 8.563 1.00 0.00 O ATOM 0 H GLU A 28 4.672 20.201 6.752 1.00 0.00 H new ATOM 0 HA GLU A 28 2.962 18.394 8.213 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.362 20.359 9.484 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.100 20.331 9.265 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.755 21.867 7.228 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.085 22.030 7.731 1.00 0.00 H new ATOM 427 N GLU A 29 1.772 20.383 5.893 1.00 0.00 N ATOM 428 CA GLU A 29 0.614 20.645 5.054 1.00 0.00 C ATOM 429 C GLU A 29 0.136 19.353 4.389 1.00 0.00 C ATOM 430 O GLU A 29 -1.066 19.118 4.275 1.00 0.00 O ATOM 431 CB GLU A 29 0.927 21.717 4.008 1.00 0.00 C ATOM 432 CG GLU A 29 2.317 21.503 3.403 1.00 0.00 C ATOM 433 CD GLU A 29 2.260 21.537 1.875 1.00 0.00 C ATOM 434 OE1 GLU A 29 1.196 21.290 1.288 1.00 0.00 O ATOM 435 OE2 GLU A 29 3.374 21.833 1.294 1.00 0.00 O ATOM 0 H GLU A 29 2.609 20.909 5.641 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.190 21.023 5.686 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.175 21.691 3.219 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.874 22.704 4.467 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.997 22.275 3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.718 20.545 3.734 1.00 0.00 H new ATOM 443 N LEU A 30 1.102 18.549 3.969 1.00 0.00 N ATOM 444 CA LEU A 30 0.795 17.286 3.319 1.00 0.00 C ATOM 445 C LEU A 30 0.251 16.303 4.357 1.00 0.00 C ATOM 446 O LEU A 30 -0.757 15.639 4.119 1.00 0.00 O ATOM 447 CB LEU A 30 2.015 16.764 2.558 1.00 0.00 C ATOM 448 CG LEU A 30 2.234 17.347 1.160 1.00 0.00 C ATOM 449 CD1 LEU A 30 3.525 16.810 0.539 1.00 0.00 C ATOM 450 CD2 LEU A 30 1.018 17.095 0.266 1.00 0.00 C ATOM 0 H LEU A 30 2.098 18.748 4.066 1.00 0.00 H new ATOM 0 HA LEU A 30 0.016 17.423 2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.904 16.963 3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.927 15.681 2.469 1.00 0.00 H new ATOM 0 HG LEU A 30 2.347 18.427 1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.657 17.240 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.372 17.083 1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.467 15.724 0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.199 17.519 -0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.849 16.022 0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.139 17.564 0.707 1.00 0.00 H new ATOM 462 N ILE A 31 0.941 16.240 5.486 1.00 0.00 N ATOM 463 CA ILE A 31 0.540 15.348 6.561 1.00 0.00 C ATOM 464 C ILE A 31 -0.841 15.763 7.072 1.00 0.00 C ATOM 465 O ILE A 31 -1.706 14.916 7.290 1.00 0.00 O ATOM 466 CB ILE A 31 1.613 15.307 7.651 1.00 0.00 C ATOM 467 CG1 ILE A 31 2.906 14.682 7.124 1.00 0.00 C ATOM 468 CG2 ILE A 31 1.097 14.589 8.900 1.00 0.00 C ATOM 469 CD1 ILE A 31 4.087 15.016 8.038 1.00 0.00 C ATOM 0 H ILE A 31 1.776 16.793 5.680 1.00 0.00 H new ATOM 0 HA ILE A 31 0.451 14.325 6.195 1.00 0.00 H new ATOM 0 HB ILE A 31 1.846 16.332 7.941 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.790 13.600 7.054 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.106 15.047 6.117 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.879 14.573 9.660 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.225 15.115 9.288 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.820 13.567 8.643 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.994 14.560 7.642 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.215 16.097 8.086 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.894 14.629 9.038 1.00 0.00 H new ATOM 481 N GLN A 32 -1.006 17.065 7.247 1.00 0.00 N ATOM 482 CA GLN A 32 -2.267 17.602 7.729 1.00 0.00 C ATOM 483 C GLN A 32 -3.371 17.377 6.693 1.00 0.00 C ATOM 484 O GLN A 32 -4.546 17.287 7.042 1.00 0.00 O ATOM 485 CB GLN A 32 -2.135 19.086 8.074 1.00 0.00 C ATOM 486 CG GLN A 32 -1.542 19.274 9.472 1.00 0.00 C ATOM 487 CD GLN A 32 -2.637 19.244 10.541 1.00 0.00 C ATOM 488 OE1 GLN A 32 -3.461 20.136 10.647 1.00 0.00 O ATOM 489 NE2 GLN A 32 -2.598 18.169 11.325 1.00 0.00 N ATOM 0 H GLN A 32 -0.287 17.765 7.064 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.539 17.073 8.642 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.501 19.579 7.337 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.114 19.563 8.023 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.813 18.488 9.671 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.008 20.223 9.520 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.880 17.459 11.181 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.286 18.055 12.069 1.00 0.00 H new ATOM 498 N LYS A 33 -2.951 17.293 5.438 1.00 0.00 N ATOM 499 CA LYS A 33 -3.889 17.079 4.349 1.00 0.00 C ATOM 500 C LYS A 33 -4.309 15.608 4.324 1.00 0.00 C ATOM 501 O LYS A 33 -5.498 15.297 4.328 1.00 0.00 O ATOM 502 CB LYS A 33 -3.296 17.573 3.028 1.00 0.00 C ATOM 503 CG LYS A 33 -3.892 18.926 2.631 1.00 0.00 C ATOM 504 CD LYS A 33 -2.956 19.680 1.685 1.00 0.00 C ATOM 505 CE LYS A 33 -3.736 20.305 0.526 1.00 0.00 C ATOM 506 NZ LYS A 33 -3.306 21.705 0.308 1.00 0.00 N ATOM 0 H LYS A 33 -1.975 17.369 5.152 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.795 17.665 4.505 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.214 17.662 3.122 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.489 16.842 2.243 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.858 18.775 2.149 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.072 19.524 3.524 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.428 20.459 2.235 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.201 18.998 1.294 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.577 19.724 -0.382 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.804 20.276 0.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.845 22.115 -0.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.480 22.260 1.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.291 21.725 0.082 1.00 0.00 H new ATOM 519 N GLY A 34 -3.307 14.741 4.298 1.00 0.00 N ATOM 520 CA GLY A 34 -3.556 13.310 4.271 1.00 0.00 C ATOM 521 C GLY A 34 -4.360 12.870 5.497 1.00 0.00 C ATOM 522 O GLY A 34 -5.278 12.060 5.384 1.00 0.00 O ATOM 0 H GLY A 34 -2.321 15.002 4.295 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.099 13.049 3.363 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.608 12.773 4.241 1.00 0.00 H new ATOM 526 N LYS A 35 -3.986 13.425 6.640 1.00 0.00 N ATOM 527 CA LYS A 35 -4.660 13.102 7.886 1.00 0.00 C ATOM 528 C LYS A 35 -6.136 13.493 7.779 1.00 0.00 C ATOM 529 O LYS A 35 -6.984 12.921 8.461 1.00 0.00 O ATOM 530 CB LYS A 35 -3.937 13.747 9.070 1.00 0.00 C ATOM 531 CG LYS A 35 -4.174 12.952 10.355 1.00 0.00 C ATOM 532 CD LYS A 35 -3.783 13.771 11.587 1.00 0.00 C ATOM 533 CE LYS A 35 -4.919 13.798 12.611 1.00 0.00 C ATOM 534 NZ LYS A 35 -5.944 14.793 12.223 1.00 0.00 N ATOM 0 H LYS A 35 -3.224 14.097 6.730 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.627 12.028 8.069 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.868 13.800 8.863 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.288 14.771 9.201 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.224 12.667 10.422 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.594 12.029 10.328 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.889 13.345 12.042 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.535 14.789 11.287 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.373 12.810 12.685 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.522 14.041 13.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.708 14.798 12.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.511 15.737 12.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.335 14.544 11.292 1.00 0.00 H new ATOM 547 N ASP A 36 -6.396 14.465 6.917 1.00 0.00 N ATOM 548 CA ASP A 36 -7.754 14.938 6.711 1.00 0.00 C ATOM 549 C ASP A 36 -8.446 14.056 5.670 1.00 0.00 C ATOM 550 O ASP A 36 -9.652 14.170 5.458 1.00 0.00 O ATOM 551 CB ASP A 36 -7.762 16.378 6.191 1.00 0.00 C ATOM 552 CG ASP A 36 -8.885 17.258 6.742 1.00 0.00 C ATOM 553 OD1 ASP A 36 -8.683 18.033 7.689 1.00 0.00 O ATOM 554 OD2 ASP A 36 -10.023 17.125 6.150 1.00 0.00 O ATOM 0 H ASP A 36 -5.689 14.938 6.353 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.274 14.896 7.668 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.806 16.841 6.434 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.839 16.355 5.104 1.00 0.00 H new ATOM 560 N ILE A 37 -7.652 13.197 5.049 1.00 0.00 N ATOM 561 CA ILE A 37 -8.174 12.295 4.036 1.00 0.00 C ATOM 562 C ILE A 37 -8.050 10.853 4.530 1.00 0.00 C ATOM 563 O ILE A 37 -6.943 10.339 4.686 1.00 0.00 O ATOM 564 CB ILE A 37 -7.487 12.545 2.691 1.00 0.00 C ATOM 565 CG1 ILE A 37 -7.515 14.032 2.329 1.00 0.00 C ATOM 566 CG2 ILE A 37 -8.100 11.676 1.592 1.00 0.00 C ATOM 567 CD1 ILE A 37 -8.860 14.420 1.713 1.00 0.00 C ATOM 0 H ILE A 37 -6.652 13.106 5.227 1.00 0.00 H new ATOM 0 HA ILE A 37 -9.234 12.485 3.867 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.440 12.256 2.783 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.333 14.631 3.221 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.712 14.254 1.627 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.594 11.873 0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.984 10.624 1.853 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -9.160 11.910 1.492 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.854 15.481 1.465 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -9.027 13.837 0.808 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -9.659 14.219 2.427 1.00 0.00 H new ATOM 579 N LYS A 38 -9.201 10.240 4.764 1.00 0.00 N ATOM 580 CA LYS A 38 -9.235 8.866 5.238 1.00 0.00 C ATOM 581 C LYS A 38 -8.524 7.965 4.226 1.00 0.00 C ATOM 582 O LYS A 38 -9.065 7.675 3.160 1.00 0.00 O ATOM 583 CB LYS A 38 -10.673 8.439 5.538 1.00 0.00 C ATOM 584 CG LYS A 38 -11.587 8.710 4.342 1.00 0.00 C ATOM 585 CD LYS A 38 -12.762 9.607 4.740 1.00 0.00 C ATOM 586 CE LYS A 38 -13.186 10.503 3.575 1.00 0.00 C ATOM 587 NZ LYS A 38 -13.696 11.799 4.077 1.00 0.00 N ATOM 0 H LYS A 38 -10.117 10.669 4.634 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.696 8.774 6.181 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.697 7.378 5.785 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.041 8.978 6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.016 9.185 3.544 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.963 7.767 3.946 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.604 8.991 5.055 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.481 10.223 5.594 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.338 10.672 2.911 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.957 10.005 2.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.979 12.395 3.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.518 11.634 4.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.949 12.280 4.618 1.00 0.00 H new ATOM 600 N GLY A 39 -7.324 7.546 4.596 1.00 0.00 N ATOM 601 CA GLY A 39 -6.533 6.684 3.735 1.00 0.00 C ATOM 602 C GLY A 39 -7.377 5.527 3.193 1.00 0.00 C ATOM 603 O GLY A 39 -7.648 4.563 3.908 1.00 0.00 O ATOM 0 H GLY A 39 -6.879 7.788 5.482 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.129 7.264 2.905 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.683 6.289 4.291 1.00 0.00 H new ATOM 607 N VAL A 40 -7.770 5.663 1.935 1.00 0.00 N ATOM 608 CA VAL A 40 -8.578 4.642 1.289 1.00 0.00 C ATOM 609 C VAL A 40 -7.723 3.894 0.263 1.00 0.00 C ATOM 610 O VAL A 40 -6.915 4.502 -0.437 1.00 0.00 O ATOM 611 CB VAL A 40 -9.830 5.275 0.678 1.00 0.00 C ATOM 612 CG1 VAL A 40 -10.632 4.242 -0.117 1.00 0.00 C ATOM 613 CG2 VAL A 40 -10.694 5.932 1.755 1.00 0.00 C ATOM 0 H VAL A 40 -7.544 6.464 1.346 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.924 3.910 2.019 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.510 6.055 -0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.517 4.716 -0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.014 3.842 -0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.937 3.431 0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.577 6.374 1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.002 5.181 2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.120 6.710 2.258 1.00 0.00 H new ATOM 623 N SER A 41 -7.932 2.587 0.208 1.00 0.00 N ATOM 624 CA SER A 41 -7.190 1.751 -0.721 1.00 0.00 C ATOM 625 C SER A 41 -8.132 0.742 -1.384 1.00 0.00 C ATOM 626 O SER A 41 -8.584 -0.205 -0.742 1.00 0.00 O ATOM 627 CB SER A 41 -6.046 1.022 -0.012 1.00 0.00 C ATOM 628 OG SER A 41 -4.800 1.690 -0.184 1.00 0.00 O ATOM 0 H SER A 41 -8.603 2.087 0.791 1.00 0.00 H new ATOM 0 HA SER A 41 -6.757 2.393 -1.488 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.271 0.942 1.052 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.969 0.006 -0.399 1.00 0.00 H new ATOM 0 HG SER A 41 -4.096 1.195 0.285 1.00 0.00 H new ATOM 634 N GLU A 42 -8.400 0.982 -2.658 1.00 0.00 N ATOM 635 CA GLU A 42 -9.280 0.107 -3.415 1.00 0.00 C ATOM 636 C GLU A 42 -8.472 -1.006 -4.086 1.00 0.00 C ATOM 637 O GLU A 42 -7.380 -0.764 -4.597 1.00 0.00 O ATOM 638 CB GLU A 42 -10.085 0.899 -4.447 1.00 0.00 C ATOM 639 CG GLU A 42 -11.097 1.822 -3.763 1.00 0.00 C ATOM 640 CD GLU A 42 -11.786 2.730 -4.782 1.00 0.00 C ATOM 641 OE1 GLU A 42 -12.855 2.378 -5.303 1.00 0.00 O ATOM 642 OE2 GLU A 42 -11.174 3.838 -5.028 1.00 0.00 O ATOM 0 H GLU A 42 -8.024 1.769 -3.186 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.988 -0.351 -2.724 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.409 1.489 -5.065 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.607 0.211 -5.112 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.843 1.225 -3.239 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.591 2.430 -3.013 1.00 0.00 H new ATOM 650 N ILE A 43 -9.042 -2.202 -4.063 1.00 0.00 N ATOM 651 CA ILE A 43 -8.388 -3.353 -4.663 1.00 0.00 C ATOM 652 C ILE A 43 -9.091 -3.706 -5.975 1.00 0.00 C ATOM 653 O ILE A 43 -10.292 -3.970 -5.988 1.00 0.00 O ATOM 654 CB ILE A 43 -8.326 -4.513 -3.668 1.00 0.00 C ATOM 655 CG1 ILE A 43 -9.601 -4.581 -2.825 1.00 0.00 C ATOM 656 CG2 ILE A 43 -7.070 -4.424 -2.799 1.00 0.00 C ATOM 657 CD1 ILE A 43 -9.850 -6.004 -2.322 1.00 0.00 C ATOM 0 H ILE A 43 -9.948 -2.399 -3.639 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.352 -3.118 -4.908 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.262 -5.443 -4.232 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.517 -3.901 -1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.452 -4.247 -3.419 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.051 -5.261 -2.101 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.185 -4.461 -3.434 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.078 -3.487 -2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -10.762 -6.025 -1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.957 -6.677 -3.173 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.008 -6.326 -1.709 1.00 0.00 H new ATOM 669 N VAL A 44 -8.312 -3.700 -7.047 1.00 0.00 N ATOM 670 CA VAL A 44 -8.844 -4.016 -8.361 1.00 0.00 C ATOM 671 C VAL A 44 -8.196 -5.304 -8.873 1.00 0.00 C ATOM 672 O VAL A 44 -6.972 -5.407 -8.930 1.00 0.00 O ATOM 673 CB VAL A 44 -8.644 -2.830 -9.307 1.00 0.00 C ATOM 674 CG1 VAL A 44 -9.353 -3.067 -10.641 1.00 0.00 C ATOM 675 CG2 VAL A 44 -9.115 -1.527 -8.658 1.00 0.00 C ATOM 0 H VAL A 44 -7.316 -3.481 -7.032 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.918 -4.192 -8.305 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.577 -2.737 -9.508 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.195 -2.209 -11.295 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.949 -3.962 -11.114 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.421 -3.199 -10.467 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.962 -0.699 -9.351 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.174 -1.605 -8.413 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.545 -1.347 -7.747 1.00 0.00 H new ATOM 685 N GLN A 45 -9.047 -6.255 -9.232 1.00 0.00 N ATOM 686 CA GLN A 45 -8.572 -7.532 -9.737 1.00 0.00 C ATOM 687 C GLN A 45 -9.358 -7.933 -10.988 1.00 0.00 C ATOM 688 O GLN A 45 -10.588 -7.933 -10.979 1.00 0.00 O ATOM 689 CB GLN A 45 -8.664 -8.615 -8.662 1.00 0.00 C ATOM 690 CG GLN A 45 -10.122 -8.986 -8.379 1.00 0.00 C ATOM 691 CD GLN A 45 -10.460 -10.360 -8.962 1.00 0.00 C ATOM 692 OE1 GLN A 45 -9.928 -11.381 -8.560 1.00 0.00 O ATOM 693 NE2 GLN A 45 -11.372 -10.327 -9.929 1.00 0.00 N ATOM 0 H GLN A 45 -10.062 -6.166 -9.183 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.522 -7.425 -10.009 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.116 -9.500 -8.985 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.190 -8.264 -7.745 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.298 -8.990 -7.303 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.783 -8.232 -8.807 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.778 -9.437 -10.217 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.666 -11.192 -10.382 1.00 0.00 H new ATOM 702 N ASN A 46 -8.615 -8.266 -12.033 1.00 0.00 N ATOM 703 CA ASN A 46 -9.226 -8.669 -13.288 1.00 0.00 C ATOM 704 C ASN A 46 -8.376 -9.763 -13.937 1.00 0.00 C ATOM 705 O ASN A 46 -7.739 -9.532 -14.963 1.00 0.00 O ATOM 706 CB ASN A 46 -9.308 -7.493 -14.263 1.00 0.00 C ATOM 707 CG ASN A 46 -10.477 -7.666 -15.235 1.00 0.00 C ATOM 708 OD1 ASN A 46 -11.635 -7.501 -14.888 1.00 0.00 O ATOM 709 ND2 ASN A 46 -10.110 -8.007 -16.467 1.00 0.00 N ATOM 0 H ASN A 46 -7.595 -8.265 -12.036 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.232 -9.030 -13.072 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.427 -6.563 -13.707 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.375 -7.413 -14.821 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.816 -8.147 -17.189 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.122 -8.129 -16.690 1.00 0.00 H new ATOM 716 N GLY A 47 -8.394 -10.930 -13.311 1.00 0.00 N ATOM 717 CA GLY A 47 -7.632 -12.061 -13.814 1.00 0.00 C ATOM 718 C GLY A 47 -6.371 -12.288 -12.979 1.00 0.00 C ATOM 719 O GLY A 47 -6.433 -12.882 -11.903 1.00 0.00 O ATOM 0 H GLY A 47 -8.924 -11.117 -12.460 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.251 -12.958 -13.795 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.357 -11.885 -14.854 1.00 0.00 H new ATOM 723 N LYS A 48 -5.256 -11.804 -13.505 1.00 0.00 N ATOM 724 CA LYS A 48 -3.981 -11.947 -12.821 1.00 0.00 C ATOM 725 C LYS A 48 -3.453 -10.562 -12.442 1.00 0.00 C ATOM 726 O LYS A 48 -2.870 -10.387 -11.373 1.00 0.00 O ATOM 727 CB LYS A 48 -3.007 -12.765 -13.670 1.00 0.00 C ATOM 728 CG LYS A 48 -3.619 -14.113 -14.061 1.00 0.00 C ATOM 729 CD LYS A 48 -2.638 -15.257 -13.798 1.00 0.00 C ATOM 730 CE LYS A 48 -3.130 -16.150 -12.657 1.00 0.00 C ATOM 731 NZ LYS A 48 -2.022 -16.977 -12.131 1.00 0.00 N ATOM 0 H LYS A 48 -5.208 -11.312 -14.397 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.106 -12.506 -11.894 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.744 -12.206 -14.568 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.083 -12.928 -13.115 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.536 -14.278 -13.495 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.893 -14.100 -15.116 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.516 -15.852 -14.703 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.658 -14.850 -13.549 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.543 -15.534 -11.858 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.935 -16.793 -13.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.373 -17.577 -11.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.646 -17.578 -12.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.266 -16.358 -11.773 1.00 0.00 H new ATOM 744 N HIS A 49 -3.676 -9.612 -13.340 1.00 0.00 N ATOM 745 CA HIS A 49 -3.230 -8.249 -13.112 1.00 0.00 C ATOM 746 C HIS A 49 -4.269 -7.502 -12.273 1.00 0.00 C ATOM 747 O HIS A 49 -5.470 -7.627 -12.510 1.00 0.00 O ATOM 748 CB HIS A 49 -2.924 -7.549 -14.437 1.00 0.00 C ATOM 749 CG HIS A 49 -4.148 -7.234 -15.263 1.00 0.00 C ATOM 750 ND1 HIS A 49 -5.179 -6.434 -14.800 1.00 0.00 N ATOM 751 CD2 HIS A 49 -4.496 -7.618 -16.525 1.00 0.00 C ATOM 752 CE1 HIS A 49 -6.100 -6.349 -15.748 1.00 0.00 C ATOM 753 NE2 HIS A 49 -5.675 -7.084 -16.817 1.00 0.00 N ATOM 0 H HIS A 49 -4.159 -9.760 -14.226 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.297 -8.258 -12.548 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.389 -6.622 -14.231 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.255 -8.179 -15.023 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.911 -8.250 -17.176 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -7.025 -5.795 -15.686 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -6.180 -7.203 -17.695 1.00 0.00 H new ATOM 761 N PHE A 50 -3.769 -6.741 -11.311 1.00 0.00 N ATOM 762 CA PHE A 50 -4.639 -5.974 -10.436 1.00 0.00 C ATOM 763 C PHE A 50 -4.414 -4.471 -10.617 1.00 0.00 C ATOM 764 O PHE A 50 -3.297 -4.037 -10.898 1.00 0.00 O ATOM 765 CB PHE A 50 -4.283 -6.360 -8.998 1.00 0.00 C ATOM 766 CG PHE A 50 -4.495 -7.842 -8.682 1.00 0.00 C ATOM 767 CD1 PHE A 50 -3.577 -8.761 -9.086 1.00 0.00 C ATOM 768 CD2 PHE A 50 -5.601 -8.240 -7.997 1.00 0.00 C ATOM 769 CE1 PHE A 50 -3.774 -10.137 -8.792 1.00 0.00 C ATOM 770 CE2 PHE A 50 -5.797 -9.615 -7.704 1.00 0.00 C ATOM 771 CZ PHE A 50 -4.879 -10.534 -8.107 1.00 0.00 C ATOM 0 H PHE A 50 -2.773 -6.639 -11.118 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.682 -6.189 -10.669 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.240 -6.105 -8.812 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.885 -5.763 -8.313 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.699 -8.445 -9.630 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.330 -7.510 -7.676 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.046 -10.867 -9.113 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.675 -9.931 -7.161 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.028 -11.580 -7.883 1.00 0.00 H new ATOM 781 N LYS A 51 -5.491 -3.719 -10.452 1.00 0.00 N ATOM 782 CA LYS A 51 -5.425 -2.275 -10.594 1.00 0.00 C ATOM 783 C LYS A 51 -5.346 -1.633 -9.207 1.00 0.00 C ATOM 784 O LYS A 51 -5.892 -2.163 -8.242 1.00 0.00 O ATOM 785 CB LYS A 51 -6.593 -1.765 -11.441 1.00 0.00 C ATOM 786 CG LYS A 51 -6.104 -0.808 -12.530 1.00 0.00 C ATOM 787 CD LYS A 51 -6.807 0.547 -12.425 1.00 0.00 C ATOM 788 CE LYS A 51 -7.565 0.873 -13.714 1.00 0.00 C ATOM 789 NZ LYS A 51 -8.300 -0.317 -14.198 1.00 0.00 N ATOM 0 H LYS A 51 -6.416 -4.083 -10.221 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.522 -1.987 -11.132 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.110 -2.608 -11.899 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.315 -1.256 -10.802 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.026 -0.670 -12.441 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.290 -1.243 -13.512 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.500 0.537 -11.584 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.073 1.327 -12.223 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.263 1.691 -13.536 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.866 1.212 -14.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.163 -0.014 -14.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.697 -0.855 -14.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.557 -0.919 -13.390 1.00 0.00 H new ATOM 802 N PHE A 52 -4.661 -0.500 -9.154 1.00 0.00 N ATOM 803 CA PHE A 52 -4.502 0.220 -7.902 1.00 0.00 C ATOM 804 C PHE A 52 -4.828 1.705 -8.078 1.00 0.00 C ATOM 805 O PHE A 52 -4.739 2.237 -9.183 1.00 0.00 O ATOM 806 CB PHE A 52 -3.037 0.077 -7.485 1.00 0.00 C ATOM 807 CG PHE A 52 -2.688 -1.291 -6.898 1.00 0.00 C ATOM 808 CD1 PHE A 52 -3.335 -1.740 -5.790 1.00 0.00 C ATOM 809 CD2 PHE A 52 -1.729 -2.058 -7.483 1.00 0.00 C ATOM 810 CE1 PHE A 52 -3.010 -3.011 -5.244 1.00 0.00 C ATOM 811 CE2 PHE A 52 -1.404 -3.328 -6.938 1.00 0.00 C ATOM 812 CZ PHE A 52 -2.052 -3.778 -5.830 1.00 0.00 C ATOM 0 H PHE A 52 -4.210 -0.063 -9.958 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.179 -0.187 -7.151 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.403 0.261 -8.353 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.802 0.847 -6.750 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.096 -1.131 -5.325 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.214 -1.701 -8.363 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.524 -3.368 -4.364 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.643 -3.937 -7.403 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.806 -4.744 -5.416 1.00 0.00 H new ATOM 822 N THR A 53 -5.199 2.332 -6.970 1.00 0.00 N ATOM 823 CA THR A 53 -5.539 3.744 -6.989 1.00 0.00 C ATOM 824 C THR A 53 -4.927 4.455 -5.781 1.00 0.00 C ATOM 825 O THR A 53 -4.873 3.895 -4.688 1.00 0.00 O ATOM 826 CB THR A 53 -7.063 3.864 -7.057 1.00 0.00 C ATOM 827 OG1 THR A 53 -7.382 3.486 -8.394 1.00 0.00 O ATOM 828 CG2 THR A 53 -7.541 5.313 -6.954 1.00 0.00 C ATOM 0 H THR A 53 -5.271 1.888 -6.055 1.00 0.00 H new ATOM 0 HA THR A 53 -5.121 4.239 -7.865 1.00 0.00 H new ATOM 0 HB THR A 53 -7.510 3.277 -6.254 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.352 3.534 -8.525 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.629 5.342 -7.008 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.213 5.738 -6.005 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.122 5.894 -7.776 1.00 0.00 H new ATOM 836 N ILE A 54 -4.480 5.680 -6.019 1.00 0.00 N ATOM 837 CA ILE A 54 -3.874 6.474 -4.964 1.00 0.00 C ATOM 838 C ILE A 54 -4.807 7.632 -4.602 1.00 0.00 C ATOM 839 O ILE A 54 -5.166 8.436 -5.461 1.00 0.00 O ATOM 840 CB ILE A 54 -2.468 6.920 -5.369 1.00 0.00 C ATOM 841 CG1 ILE A 54 -1.559 5.715 -5.615 1.00 0.00 C ATOM 842 CG2 ILE A 54 -1.878 7.881 -4.335 1.00 0.00 C ATOM 843 CD1 ILE A 54 -0.994 5.178 -4.299 1.00 0.00 C ATOM 0 H ILE A 54 -4.526 6.142 -6.927 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.746 5.875 -4.063 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.541 7.465 -6.310 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.119 4.929 -6.122 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.741 6.001 -6.277 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.878 8.182 -4.647 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.514 8.763 -4.253 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.821 7.384 -3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.351 4.321 -4.502 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.414 5.959 -3.807 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.814 4.871 -3.650 1.00 0.00 H new ATOM 855 N THR A 55 -5.173 7.679 -3.330 1.00 0.00 N ATOM 856 CA THR A 55 -6.057 8.725 -2.844 1.00 0.00 C ATOM 857 C THR A 55 -5.309 9.651 -1.881 1.00 0.00 C ATOM 858 O THR A 55 -5.516 9.590 -0.670 1.00 0.00 O ATOM 859 CB THR A 55 -7.281 8.055 -2.216 1.00 0.00 C ATOM 860 OG1 THR A 55 -7.593 6.992 -3.112 1.00 0.00 O ATOM 861 CG2 THR A 55 -8.522 8.950 -2.253 1.00 0.00 C ATOM 0 H THR A 55 -4.874 7.010 -2.621 1.00 0.00 H new ATOM 0 HA THR A 55 -6.400 9.364 -3.658 1.00 0.00 H new ATOM 0 HB THR A 55 -7.058 7.786 -1.183 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.375 6.503 -2.780 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.362 8.427 -1.795 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.324 9.870 -1.703 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.766 9.192 -3.288 1.00 0.00 H new ATOM 869 N ALA A 56 -4.457 10.486 -2.456 1.00 0.00 N ATOM 870 CA ALA A 56 -3.679 11.423 -1.665 1.00 0.00 C ATOM 871 C ALA A 56 -4.459 12.731 -1.516 1.00 0.00 C ATOM 872 O ALA A 56 -5.658 12.776 -1.790 1.00 0.00 O ATOM 873 CB ALA A 56 -2.312 11.632 -2.320 1.00 0.00 C ATOM 0 H ALA A 56 -4.288 10.533 -3.461 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.505 11.027 -0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.728 12.335 -1.726 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.786 10.679 -2.375 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.447 12.031 -3.325 1.00 0.00 H new ATOM 879 N GLY A 57 -3.748 13.762 -1.085 1.00 0.00 N ATOM 880 CA GLY A 57 -4.360 15.066 -0.896 1.00 0.00 C ATOM 881 C GLY A 57 -5.389 15.352 -1.992 1.00 0.00 C ATOM 882 O GLY A 57 -6.592 15.335 -1.737 1.00 0.00 O ATOM 0 H GLY A 57 -2.754 13.721 -0.861 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.842 15.107 0.081 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.590 15.838 -0.904 1.00 0.00 H new ATOM 886 N SER A 58 -4.878 15.609 -3.187 1.00 0.00 N ATOM 887 CA SER A 58 -5.737 15.899 -4.322 1.00 0.00 C ATOM 888 C SER A 58 -5.062 15.448 -5.618 1.00 0.00 C ATOM 889 O SER A 58 -4.755 16.270 -6.480 1.00 0.00 O ATOM 890 CB SER A 58 -6.076 17.389 -4.390 1.00 0.00 C ATOM 891 OG SER A 58 -4.919 18.190 -4.614 1.00 0.00 O ATOM 0 H SER A 58 -3.879 15.622 -3.394 1.00 0.00 H new ATOM 0 HA SER A 58 -6.669 15.348 -4.195 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.796 17.561 -5.190 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.554 17.695 -3.459 1.00 0.00 H new ATOM 0 HG SER A 58 -4.457 17.880 -5.421 1.00 0.00 H new ATOM 897 N LYS A 59 -4.851 14.144 -5.716 1.00 0.00 N ATOM 898 CA LYS A 59 -4.219 13.573 -6.893 1.00 0.00 C ATOM 899 C LYS A 59 -4.397 12.055 -6.878 1.00 0.00 C ATOM 900 O LYS A 59 -4.328 11.428 -5.821 1.00 0.00 O ATOM 901 CB LYS A 59 -2.758 14.021 -6.985 1.00 0.00 C ATOM 902 CG LYS A 59 -1.932 13.435 -5.838 1.00 0.00 C ATOM 903 CD LYS A 59 -0.451 13.788 -5.992 1.00 0.00 C ATOM 904 CE LYS A 59 0.203 12.939 -7.085 1.00 0.00 C ATOM 905 NZ LYS A 59 1.517 13.505 -7.464 1.00 0.00 N ATOM 0 H LYS A 59 -5.107 13.466 -4.999 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.700 13.940 -7.800 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.337 13.706 -7.940 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.705 15.109 -6.957 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.303 13.816 -4.886 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.051 12.352 -5.816 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.349 14.845 -6.237 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.065 13.629 -5.045 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.329 11.916 -6.732 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.447 12.897 -7.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.947 12.917 -8.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.388 14.473 -7.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.140 13.523 -6.632 1.00 0.00 H new ATOM 918 N VAL A 60 -4.623 11.505 -8.062 1.00 0.00 N ATOM 919 CA VAL A 60 -4.812 10.071 -8.197 1.00 0.00 C ATOM 920 C VAL A 60 -3.845 9.531 -9.254 1.00 0.00 C ATOM 921 O VAL A 60 -3.437 10.260 -10.156 1.00 0.00 O ATOM 922 CB VAL A 60 -6.276 9.764 -8.515 1.00 0.00 C ATOM 923 CG1 VAL A 60 -6.821 8.674 -7.589 1.00 0.00 C ATOM 924 CG2 VAL A 60 -7.132 11.029 -8.435 1.00 0.00 C ATOM 0 H VAL A 60 -4.679 12.027 -8.937 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.584 9.566 -7.258 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.325 9.391 -9.538 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.864 8.475 -7.836 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.237 7.763 -7.717 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.751 9.008 -6.554 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.168 10.782 -8.666 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.073 11.445 -7.429 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.765 11.762 -9.153 1.00 0.00 H new ATOM 934 N ILE A 61 -3.508 8.258 -9.107 1.00 0.00 N ATOM 935 CA ILE A 61 -2.597 7.613 -10.037 1.00 0.00 C ATOM 936 C ILE A 61 -3.205 6.289 -10.503 1.00 0.00 C ATOM 937 O ILE A 61 -3.672 5.495 -9.688 1.00 0.00 O ATOM 938 CB ILE A 61 -1.209 7.466 -9.412 1.00 0.00 C ATOM 939 CG1 ILE A 61 -0.618 8.832 -9.057 1.00 0.00 C ATOM 940 CG2 ILE A 61 -0.280 6.659 -10.322 1.00 0.00 C ATOM 941 CD1 ILE A 61 0.526 8.691 -8.052 1.00 0.00 C ATOM 0 H ILE A 61 -3.850 7.656 -8.358 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.458 8.230 -10.924 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.312 6.909 -8.481 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.254 9.321 -9.961 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.396 9.471 -8.640 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.700 6.569 -9.854 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.699 5.665 -10.480 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.179 7.167 -11.281 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.928 9.677 -7.817 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.154 8.224 -7.140 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.313 8.071 -8.481 1.00 0.00 H new ATOM 953 N GLN A 62 -3.180 6.092 -11.813 1.00 0.00 N ATOM 954 CA GLN A 62 -3.723 4.877 -12.398 1.00 0.00 C ATOM 955 C GLN A 62 -2.599 4.024 -12.988 1.00 0.00 C ATOM 956 O GLN A 62 -1.896 4.460 -13.899 1.00 0.00 O ATOM 957 CB GLN A 62 -4.778 5.203 -13.457 1.00 0.00 C ATOM 958 CG GLN A 62 -4.134 5.818 -14.702 1.00 0.00 C ATOM 959 CD GLN A 62 -5.186 6.480 -15.594 1.00 0.00 C ATOM 960 OE1 GLN A 62 -6.248 6.884 -15.149 1.00 0.00 O ATOM 961 NE2 GLN A 62 -4.833 6.569 -16.873 1.00 0.00 N ATOM 0 H GLN A 62 -2.792 6.753 -12.486 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.212 4.304 -11.610 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.315 4.295 -13.732 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.512 5.895 -13.043 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.389 6.556 -14.404 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.610 5.045 -15.264 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.928 6.210 -17.179 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.467 6.996 -17.548 1.00 0.00 H new ATOM 970 N ASN A 63 -2.463 2.822 -12.446 1.00 0.00 N ATOM 971 CA ASN A 63 -1.437 1.904 -12.907 1.00 0.00 C ATOM 972 C ASN A 63 -1.852 0.471 -12.568 1.00 0.00 C ATOM 973 O ASN A 63 -2.428 0.221 -11.510 1.00 0.00 O ATOM 974 CB ASN A 63 -0.098 2.185 -12.221 1.00 0.00 C ATOM 975 CG ASN A 63 -0.159 1.826 -10.735 1.00 0.00 C ATOM 976 OD1 ASN A 63 -0.863 2.439 -9.950 1.00 0.00 O ATOM 977 ND2 ASN A 63 0.619 0.802 -10.393 1.00 0.00 N ATOM 0 H ASN A 63 -3.048 2.463 -11.691 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.325 2.036 -13.983 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.691 1.610 -12.706 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.159 3.238 -12.334 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.650 0.487 -9.423 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.184 0.332 -11.100 1.00 0.00 H new ATOM 984 N GLU A 64 -1.541 -0.433 -13.485 1.00 0.00 N ATOM 985 CA GLU A 64 -1.874 -1.835 -13.296 1.00 0.00 C ATOM 986 C GLU A 64 -0.604 -2.654 -13.056 1.00 0.00 C ATOM 987 O GLU A 64 0.446 -2.361 -13.627 1.00 0.00 O ATOM 988 CB GLU A 64 -2.658 -2.378 -14.492 1.00 0.00 C ATOM 989 CG GLU A 64 -4.103 -1.872 -14.476 1.00 0.00 C ATOM 990 CD GLU A 64 -4.777 -2.094 -15.831 1.00 0.00 C ATOM 991 OE1 GLU A 64 -5.372 -3.158 -16.060 1.00 0.00 O ATOM 992 OE2 GLU A 64 -4.668 -1.113 -16.660 1.00 0.00 O ATOM 0 H GLU A 64 -1.062 -0.222 -14.361 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.511 -1.922 -12.416 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.172 -2.073 -15.419 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.650 -3.468 -14.472 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.664 -2.389 -13.698 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.118 -0.811 -14.228 1.00 0.00 H new ATOM 1000 N PHE A 65 -0.741 -3.666 -12.211 1.00 0.00 N ATOM 1001 CA PHE A 65 0.382 -4.529 -11.889 1.00 0.00 C ATOM 1002 C PHE A 65 -0.017 -6.004 -11.978 1.00 0.00 C ATOM 1003 O PHE A 65 -1.159 -6.360 -11.691 1.00 0.00 O ATOM 1004 CB PHE A 65 0.792 -4.211 -10.450 1.00 0.00 C ATOM 1005 CG PHE A 65 2.264 -4.497 -10.145 1.00 0.00 C ATOM 1006 CD1 PHE A 65 2.699 -5.781 -10.038 1.00 0.00 C ATOM 1007 CD2 PHE A 65 3.137 -3.468 -9.980 1.00 0.00 C ATOM 1008 CE1 PHE A 65 4.065 -6.048 -9.754 1.00 0.00 C ATOM 1009 CE2 PHE A 65 4.503 -3.733 -9.698 1.00 0.00 C ATOM 1010 CZ PHE A 65 4.938 -5.018 -9.590 1.00 0.00 C ATOM 0 H PHE A 65 -1.613 -3.907 -11.740 1.00 0.00 H new ATOM 0 HA PHE A 65 1.197 -4.357 -12.592 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.587 -3.159 -10.249 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.171 -4.793 -9.769 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.005 -6.598 -10.169 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.791 -2.448 -10.063 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.410 -7.068 -9.668 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.197 -2.915 -9.569 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.977 -5.220 -9.374 1.00 0.00 H new ATOM 1020 N THR A 66 0.946 -6.822 -12.378 1.00 0.00 N ATOM 1021 CA THR A 66 0.710 -8.249 -12.509 1.00 0.00 C ATOM 1022 C THR A 66 1.662 -9.033 -11.602 1.00 0.00 C ATOM 1023 O THR A 66 2.778 -8.589 -11.338 1.00 0.00 O ATOM 1024 CB THR A 66 0.839 -8.616 -13.988 1.00 0.00 C ATOM 1025 OG1 THR A 66 0.050 -9.795 -14.124 1.00 0.00 O ATOM 1026 CG2 THR A 66 2.253 -9.069 -14.357 1.00 0.00 C ATOM 0 H THR A 66 1.892 -6.523 -12.616 1.00 0.00 H new ATOM 0 HA THR A 66 -0.294 -8.515 -12.180 1.00 0.00 H new ATOM 0 HB THR A 66 0.561 -7.758 -14.600 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.077 -10.101 -15.055 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.290 -9.318 -15.418 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.959 -8.265 -14.148 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.519 -9.947 -13.769 1.00 0.00 H new ATOM 1034 N VAL A 67 1.185 -10.184 -11.153 1.00 0.00 N ATOM 1035 CA VAL A 67 1.980 -11.034 -10.282 1.00 0.00 C ATOM 1036 C VAL A 67 2.752 -12.046 -11.130 1.00 0.00 C ATOM 1037 O VAL A 67 2.404 -12.287 -12.285 1.00 0.00 O ATOM 1038 CB VAL A 67 1.083 -11.693 -9.233 1.00 0.00 C ATOM 1039 CG1 VAL A 67 1.913 -12.264 -8.081 1.00 0.00 C ATOM 1040 CG2 VAL A 67 0.030 -10.710 -8.716 1.00 0.00 C ATOM 0 H VAL A 67 0.259 -10.548 -11.375 1.00 0.00 H new ATOM 0 HA VAL A 67 2.714 -10.441 -9.736 1.00 0.00 H new ATOM 0 HB VAL A 67 0.561 -12.522 -9.712 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.250 -12.727 -7.350 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.606 -13.012 -8.467 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.475 -11.461 -7.604 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.594 -11.204 -7.972 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.525 -9.852 -8.262 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.592 -10.373 -9.545 1.00 0.00 H new ATOM 1050 N GLY A 68 3.786 -12.611 -10.525 1.00 0.00 N ATOM 1051 CA GLY A 68 4.609 -13.593 -11.210 1.00 0.00 C ATOM 1052 C GLY A 68 5.858 -12.939 -11.806 1.00 0.00 C ATOM 1053 O GLY A 68 6.925 -13.551 -11.845 1.00 0.00 O ATOM 0 H GLY A 68 4.073 -12.407 -9.568 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.902 -14.378 -10.513 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.031 -14.070 -12.001 1.00 0.00 H new ATOM 1057 N GLU A 69 5.683 -11.706 -12.257 1.00 0.00 N ATOM 1058 CA GLU A 69 6.783 -10.964 -12.850 1.00 0.00 C ATOM 1059 C GLU A 69 6.977 -9.632 -12.121 1.00 0.00 C ATOM 1060 O GLU A 69 6.122 -9.215 -11.342 1.00 0.00 O ATOM 1061 CB GLU A 69 6.551 -10.741 -14.346 1.00 0.00 C ATOM 1062 CG GLU A 69 5.166 -10.144 -14.603 1.00 0.00 C ATOM 1063 CD GLU A 69 4.859 -10.096 -16.101 1.00 0.00 C ATOM 1064 OE1 GLU A 69 4.071 -10.913 -16.599 1.00 0.00 O ATOM 1065 OE2 GLU A 69 5.472 -9.167 -16.753 1.00 0.00 O ATOM 0 H GLU A 69 4.797 -11.202 -12.224 1.00 0.00 H new ATOM 0 HA GLU A 69 7.694 -11.553 -12.741 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.317 -10.074 -14.741 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.647 -11.688 -14.878 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.409 -10.739 -14.092 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.116 -9.138 -14.186 1.00 0.00 H new ATOM 1073 N GLU A 70 8.109 -9.001 -12.401 1.00 0.00 N ATOM 1074 CA GLU A 70 8.427 -7.725 -11.782 1.00 0.00 C ATOM 1075 C GLU A 70 8.065 -6.575 -12.723 1.00 0.00 C ATOM 1076 O GLU A 70 8.417 -6.597 -13.901 1.00 0.00 O ATOM 1077 CB GLU A 70 9.902 -7.663 -11.381 1.00 0.00 C ATOM 1078 CG GLU A 70 10.776 -7.258 -12.569 1.00 0.00 C ATOM 1079 CD GLU A 70 12.262 -7.345 -12.212 1.00 0.00 C ATOM 1080 OE1 GLU A 70 12.623 -7.997 -11.221 1.00 0.00 O ATOM 1081 OE2 GLU A 70 13.052 -6.707 -13.007 1.00 0.00 O ATOM 0 H GLU A 70 8.817 -9.350 -13.048 1.00 0.00 H new ATOM 0 HA GLU A 70 7.834 -7.625 -10.873 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.032 -6.948 -10.569 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.221 -8.635 -11.004 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.564 -7.907 -13.419 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.531 -6.241 -12.875 1.00 0.00 H new ATOM 1089 N CYS A 71 7.368 -5.595 -12.166 1.00 0.00 N ATOM 1090 CA CYS A 71 6.955 -4.436 -12.941 1.00 0.00 C ATOM 1091 C CYS A 71 7.592 -3.192 -12.320 1.00 0.00 C ATOM 1092 O CYS A 71 7.950 -3.194 -11.144 1.00 0.00 O ATOM 1093 CB CYS A 71 5.431 -4.321 -13.017 1.00 0.00 C ATOM 1094 SG CYS A 71 4.727 -5.816 -13.803 1.00 0.00 S ATOM 0 H CYS A 71 7.079 -5.579 -11.188 1.00 0.00 H new ATOM 0 HA CYS A 71 7.297 -4.542 -13.971 1.00 0.00 H new ATOM 0 HB2 CYS A 71 5.017 -4.198 -12.016 1.00 0.00 H new ATOM 0 HB3 CYS A 71 5.153 -3.435 -13.588 1.00 0.00 H new ATOM 0 HG CYS A 71 3.433 -5.708 -13.860 1.00 0.00 H new ATOM 1100 N GLU A 72 7.714 -2.157 -13.140 1.00 0.00 N ATOM 1101 CA GLU A 72 8.300 -0.908 -12.686 1.00 0.00 C ATOM 1102 C GLU A 72 7.227 0.176 -12.579 1.00 0.00 C ATOM 1103 O GLU A 72 6.586 0.519 -13.571 1.00 0.00 O ATOM 1104 CB GLU A 72 9.434 -0.467 -13.614 1.00 0.00 C ATOM 1105 CG GLU A 72 10.434 0.423 -12.873 1.00 0.00 C ATOM 1106 CD GLU A 72 11.596 0.821 -13.785 1.00 0.00 C ATOM 1107 OE1 GLU A 72 11.527 1.858 -14.460 1.00 0.00 O ATOM 1108 OE2 GLU A 72 12.598 0.008 -13.778 1.00 0.00 O ATOM 0 H GLU A 72 7.417 -2.159 -14.116 1.00 0.00 H new ATOM 0 HA GLU A 72 8.725 -1.068 -11.695 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.946 -1.344 -14.010 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.022 0.074 -14.466 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.929 1.318 -12.510 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.817 -0.104 -11.999 1.00 0.00 H new ATOM 1116 N LEU A 73 7.063 0.684 -11.367 1.00 0.00 N ATOM 1117 CA LEU A 73 6.077 1.722 -11.117 1.00 0.00 C ATOM 1118 C LEU A 73 6.761 2.921 -10.458 1.00 0.00 C ATOM 1119 O LEU A 73 7.748 2.761 -9.742 1.00 0.00 O ATOM 1120 CB LEU A 73 4.903 1.164 -10.310 1.00 0.00 C ATOM 1121 CG LEU A 73 5.078 1.156 -8.791 1.00 0.00 C ATOM 1122 CD1 LEU A 73 3.749 0.872 -8.088 1.00 0.00 C ATOM 1123 CD2 LEU A 73 6.171 0.173 -8.369 1.00 0.00 C ATOM 0 H LEU A 73 7.596 0.396 -10.547 1.00 0.00 H new ATOM 0 HA LEU A 73 5.649 2.074 -12.056 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.013 1.746 -10.550 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.714 0.142 -10.640 1.00 0.00 H new ATOM 0 HG LEU A 73 5.402 2.149 -8.480 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.901 0.872 -7.009 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.025 1.643 -8.352 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.372 -0.102 -8.401 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.274 0.188 -7.284 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.902 -0.832 -8.694 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.117 0.462 -8.827 1.00 0.00 H new ATOM 1135 N GLU A 74 6.210 4.096 -10.724 1.00 0.00 N ATOM 1136 CA GLU A 74 6.754 5.322 -10.166 1.00 0.00 C ATOM 1137 C GLU A 74 6.355 5.458 -8.695 1.00 0.00 C ATOM 1138 O GLU A 74 5.172 5.562 -8.376 1.00 0.00 O ATOM 1139 CB GLU A 74 6.301 6.541 -10.972 1.00 0.00 C ATOM 1140 CG GLU A 74 7.501 7.290 -11.555 1.00 0.00 C ATOM 1141 CD GLU A 74 7.127 7.990 -12.863 1.00 0.00 C ATOM 1142 OE1 GLU A 74 6.998 7.329 -13.904 1.00 0.00 O ATOM 1143 OE2 GLU A 74 6.971 9.267 -12.773 1.00 0.00 O ATOM 0 H GLU A 74 5.392 4.225 -11.319 1.00 0.00 H new ATOM 0 HA GLU A 74 7.841 5.273 -10.225 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.640 6.223 -11.778 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.725 7.211 -10.333 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.860 8.025 -10.835 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.319 6.592 -11.733 1.00 0.00 H new ATOM 1151 N THR A 75 7.366 5.454 -7.838 1.00 0.00 N ATOM 1152 CA THR A 75 7.135 5.576 -6.409 1.00 0.00 C ATOM 1153 C THR A 75 6.735 7.009 -6.053 1.00 0.00 C ATOM 1154 O THR A 75 6.778 7.898 -6.903 1.00 0.00 O ATOM 1155 CB THR A 75 8.396 5.100 -5.684 1.00 0.00 C ATOM 1156 OG1 THR A 75 8.555 3.751 -6.115 1.00 0.00 O ATOM 1157 CG2 THR A 75 8.194 4.986 -4.171 1.00 0.00 C ATOM 0 H THR A 75 8.346 5.368 -8.106 1.00 0.00 H new ATOM 0 HA THR A 75 6.302 4.950 -6.089 1.00 0.00 H new ATOM 0 HB THR A 75 9.215 5.789 -5.890 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.129 3.271 -5.482 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.118 4.645 -3.705 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.922 5.961 -3.766 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.398 4.271 -3.963 1.00 0.00 H new ATOM 1165 N MET A 76 6.355 7.189 -4.797 1.00 0.00 N ATOM 1166 CA MET A 76 5.948 8.499 -4.319 1.00 0.00 C ATOM 1167 C MET A 76 7.164 9.357 -3.966 1.00 0.00 C ATOM 1168 O MET A 76 7.018 10.497 -3.527 1.00 0.00 O ATOM 1169 CB MET A 76 5.061 8.338 -3.082 1.00 0.00 C ATOM 1170 CG MET A 76 5.894 7.969 -1.853 1.00 0.00 C ATOM 1171 SD MET A 76 5.051 6.721 -0.896 1.00 0.00 S ATOM 1172 CE MET A 76 3.715 7.697 -0.223 1.00 0.00 C ATOM 0 H MET A 76 6.320 6.449 -4.096 1.00 0.00 H new ATOM 0 HA MET A 76 5.393 8.998 -5.113 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.521 9.266 -2.894 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.314 7.566 -3.264 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.872 7.602 -2.163 1.00 0.00 H new ATOM 0 HG3 MET A 76 6.066 8.854 -1.241 1.00 0.00 H new ATOM 0 HE1 MET A 76 3.127 7.086 0.461 1.00 0.00 H new ATOM 0 HE2 MET A 76 4.124 8.552 0.315 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.078 8.050 -1.034 1.00 0.00 H new ATOM 1182 N THR A 77 8.338 8.775 -4.171 1.00 0.00 N ATOM 1183 CA THR A 77 9.579 9.473 -3.880 1.00 0.00 C ATOM 1184 C THR A 77 10.113 10.159 -5.139 1.00 0.00 C ATOM 1185 O THR A 77 11.159 10.805 -5.102 1.00 0.00 O ATOM 1186 CB THR A 77 10.558 8.464 -3.277 1.00 0.00 C ATOM 1187 OG1 THR A 77 11.341 9.238 -2.372 1.00 0.00 O ATOM 1188 CG2 THR A 77 11.571 7.947 -4.299 1.00 0.00 C ATOM 0 H THR A 77 8.455 7.829 -4.535 1.00 0.00 H new ATOM 0 HA THR A 77 9.423 10.271 -3.154 1.00 0.00 H new ATOM 0 HB THR A 77 10.002 7.624 -2.861 1.00 0.00 H new ATOM 0 HG1 THR A 77 12.002 8.661 -1.935 1.00 0.00 H new ATOM 0 HG21 THR A 77 12.241 7.234 -3.818 1.00 0.00 H new ATOM 0 HG22 THR A 77 11.044 7.455 -5.117 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.151 8.783 -4.692 1.00 0.00 H new ATOM 1196 N GLY A 78 9.370 9.995 -6.224 1.00 0.00 N ATOM 1197 CA GLY A 78 9.756 10.591 -7.492 1.00 0.00 C ATOM 1198 C GLY A 78 10.877 9.788 -8.155 1.00 0.00 C ATOM 1199 O GLY A 78 11.962 10.314 -8.396 1.00 0.00 O ATOM 0 H GLY A 78 8.503 9.458 -6.251 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.893 10.634 -8.156 1.00 0.00 H new ATOM 0 HA3 GLY A 78 10.085 11.617 -7.331 1.00 0.00 H new ATOM 1203 N GLU A 79 10.576 8.528 -8.433 1.00 0.00 N ATOM 1204 CA GLU A 79 11.545 7.648 -9.064 1.00 0.00 C ATOM 1205 C GLU A 79 10.841 6.435 -9.675 1.00 0.00 C ATOM 1206 O GLU A 79 9.621 6.309 -9.584 1.00 0.00 O ATOM 1207 CB GLU A 79 12.621 7.213 -8.068 1.00 0.00 C ATOM 1208 CG GLU A 79 12.133 6.047 -7.207 1.00 0.00 C ATOM 1209 CD GLU A 79 12.995 5.891 -5.953 1.00 0.00 C ATOM 1210 OE1 GLU A 79 14.079 6.487 -5.868 1.00 0.00 O ATOM 1211 OE2 GLU A 79 12.501 5.121 -5.043 1.00 0.00 O ATOM 0 H GLU A 79 9.674 8.095 -8.233 1.00 0.00 H new ATOM 0 HA GLU A 79 12.039 8.198 -9.865 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.522 6.920 -8.606 1.00 0.00 H new ATOM 0 HB3 GLU A 79 12.891 8.054 -7.429 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.094 6.212 -6.920 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.160 5.125 -7.788 1.00 0.00 H new ATOM 1219 N LYS A 80 11.641 5.572 -10.285 1.00 0.00 N ATOM 1220 CA LYS A 80 11.110 4.373 -10.912 1.00 0.00 C ATOM 1221 C LYS A 80 11.835 3.147 -10.353 1.00 0.00 C ATOM 1222 O LYS A 80 13.033 2.975 -10.574 1.00 0.00 O ATOM 1223 CB LYS A 80 11.181 4.488 -12.435 1.00 0.00 C ATOM 1224 CG LYS A 80 10.126 5.463 -12.961 1.00 0.00 C ATOM 1225 CD LYS A 80 10.300 5.701 -14.463 1.00 0.00 C ATOM 1226 CE LYS A 80 11.103 6.978 -14.727 1.00 0.00 C ATOM 1227 NZ LYS A 80 10.383 7.856 -15.676 1.00 0.00 N ATOM 0 H LYS A 80 12.653 5.679 -10.358 1.00 0.00 H new ATOM 0 HA LYS A 80 10.053 4.255 -10.674 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.174 4.826 -12.732 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.031 3.507 -12.885 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.130 5.067 -12.765 1.00 0.00 H new ATOM 0 HG3 LYS A 80 10.203 6.410 -12.428 1.00 0.00 H new ATOM 0 HD2 LYS A 80 10.808 4.848 -14.913 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.322 5.777 -14.938 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.273 7.508 -13.790 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.082 6.722 -15.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.941 8.717 -15.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.242 7.353 -16.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.459 8.115 -15.276 1.00 0.00 H new ATOM 1240 N VAL A 81 11.079 2.327 -9.638 1.00 0.00 N ATOM 1241 CA VAL A 81 11.635 1.123 -9.046 1.00 0.00 C ATOM 1242 C VAL A 81 10.884 -0.098 -9.582 1.00 0.00 C ATOM 1243 O VAL A 81 9.681 -0.031 -9.832 1.00 0.00 O ATOM 1244 CB VAL A 81 11.597 1.224 -7.520 1.00 0.00 C ATOM 1245 CG1 VAL A 81 12.356 2.461 -7.034 1.00 0.00 C ATOM 1246 CG2 VAL A 81 10.155 1.228 -7.006 1.00 0.00 C ATOM 0 H VAL A 81 10.086 2.473 -9.455 1.00 0.00 H new ATOM 0 HA VAL A 81 12.682 1.010 -9.325 1.00 0.00 H new ATOM 0 HB VAL A 81 12.095 0.344 -7.113 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.314 2.510 -5.946 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.396 2.399 -7.354 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.899 3.357 -7.455 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.157 1.301 -5.918 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.621 2.081 -7.426 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.659 0.305 -7.307 1.00 0.00 H new ATOM 1256 N LYS A 82 11.623 -1.184 -9.745 1.00 0.00 N ATOM 1257 CA LYS A 82 11.043 -2.417 -10.247 1.00 0.00 C ATOM 1258 C LYS A 82 10.787 -3.370 -9.077 1.00 0.00 C ATOM 1259 O LYS A 82 11.727 -3.879 -8.469 1.00 0.00 O ATOM 1260 CB LYS A 82 11.924 -3.017 -11.346 1.00 0.00 C ATOM 1261 CG LYS A 82 13.368 -3.170 -10.867 1.00 0.00 C ATOM 1262 CD LYS A 82 14.208 -1.951 -11.255 1.00 0.00 C ATOM 1263 CE LYS A 82 15.442 -2.369 -12.057 1.00 0.00 C ATOM 1264 NZ LYS A 82 16.294 -1.194 -12.346 1.00 0.00 N ATOM 0 H LYS A 82 12.620 -1.236 -9.538 1.00 0.00 H new ATOM 0 HA LYS A 82 10.079 -2.219 -10.715 1.00 0.00 H new ATOM 0 HB2 LYS A 82 11.530 -3.989 -11.643 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.896 -2.379 -12.229 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.384 -3.297 -9.785 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.805 -4.070 -11.300 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.604 -1.261 -11.844 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.517 -1.417 -10.357 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.012 -3.111 -11.498 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.134 -2.841 -12.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 17.127 -1.495 -12.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.752 -0.499 -12.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.603 -0.761 -11.452 1.00 0.00 H new ATOM 1277 N THR A 83 9.509 -3.582 -8.796 1.00 0.00 N ATOM 1278 CA THR A 83 9.117 -4.464 -7.711 1.00 0.00 C ATOM 1279 C THR A 83 8.581 -5.785 -8.264 1.00 0.00 C ATOM 1280 O THR A 83 8.098 -5.839 -9.392 1.00 0.00 O ATOM 1281 CB THR A 83 8.109 -3.717 -6.836 1.00 0.00 C ATOM 1282 OG1 THR A 83 7.371 -4.754 -6.194 1.00 0.00 O ATOM 1283 CG2 THR A 83 7.058 -2.969 -7.661 1.00 0.00 C ATOM 0 H THR A 83 8.732 -3.157 -9.302 1.00 0.00 H new ATOM 0 HA THR A 83 9.972 -4.732 -7.090 1.00 0.00 H new ATOM 0 HB THR A 83 8.638 -3.011 -6.195 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.823 -5.011 -5.363 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.367 -2.456 -6.992 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.551 -2.239 -8.303 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.506 -3.679 -8.277 1.00 0.00 H new ATOM 1291 N VAL A 84 8.687 -6.819 -7.442 1.00 0.00 N ATOM 1292 CA VAL A 84 8.218 -8.138 -7.835 1.00 0.00 C ATOM 1293 C VAL A 84 7.175 -8.624 -6.827 1.00 0.00 C ATOM 1294 O VAL A 84 7.391 -8.547 -5.618 1.00 0.00 O ATOM 1295 CB VAL A 84 9.405 -9.093 -7.976 1.00 0.00 C ATOM 1296 CG1 VAL A 84 9.881 -9.583 -6.607 1.00 0.00 C ATOM 1297 CG2 VAL A 84 9.054 -10.271 -8.887 1.00 0.00 C ATOM 0 H VAL A 84 9.090 -6.771 -6.506 1.00 0.00 H new ATOM 0 HA VAL A 84 7.733 -8.098 -8.810 1.00 0.00 H new ATOM 0 HB VAL A 84 10.225 -8.543 -8.438 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.725 -10.260 -6.736 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.189 -8.730 -6.002 1.00 0.00 H new ATOM 0 HG13 VAL A 84 9.068 -10.108 -6.106 1.00 0.00 H new ATOM 0 HG21 VAL A 84 9.914 -10.935 -8.971 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.212 -10.819 -8.464 1.00 0.00 H new ATOM 0 HG23 VAL A 84 8.785 -9.899 -9.876 1.00 0.00 H new ATOM 1307 N VAL A 85 6.067 -9.116 -7.362 1.00 0.00 N ATOM 1308 CA VAL A 85 4.989 -9.616 -6.524 1.00 0.00 C ATOM 1309 C VAL A 85 5.034 -11.145 -6.501 1.00 0.00 C ATOM 1310 O VAL A 85 5.003 -11.786 -7.551 1.00 0.00 O ATOM 1311 CB VAL A 85 3.648 -9.064 -7.012 1.00 0.00 C ATOM 1312 CG1 VAL A 85 2.500 -9.548 -6.124 1.00 0.00 C ATOM 1313 CG2 VAL A 85 3.678 -7.536 -7.084 1.00 0.00 C ATOM 0 H VAL A 85 5.892 -9.179 -8.365 1.00 0.00 H new ATOM 0 HA VAL A 85 5.112 -9.272 -5.497 1.00 0.00 H new ATOM 0 HB VAL A 85 3.476 -9.444 -8.019 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.558 -9.141 -6.493 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.458 -10.637 -6.145 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.665 -9.211 -5.101 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.713 -7.169 -7.434 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.884 -7.129 -6.094 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.459 -7.220 -7.776 1.00 0.00 H new ATOM 1323 N GLN A 86 5.105 -11.685 -5.294 1.00 0.00 N ATOM 1324 CA GLN A 86 5.154 -13.126 -5.121 1.00 0.00 C ATOM 1325 C GLN A 86 3.899 -13.617 -4.397 1.00 0.00 C ATOM 1326 O GLN A 86 3.281 -12.869 -3.642 1.00 0.00 O ATOM 1327 CB GLN A 86 6.420 -13.546 -4.370 1.00 0.00 C ATOM 1328 CG GLN A 86 7.044 -14.792 -5.002 1.00 0.00 C ATOM 1329 CD GLN A 86 8.335 -15.184 -4.279 1.00 0.00 C ATOM 1330 OE1 GLN A 86 9.008 -14.369 -3.669 1.00 0.00 O ATOM 1331 NE2 GLN A 86 8.641 -16.474 -4.380 1.00 0.00 N ATOM 0 H GLN A 86 5.130 -11.150 -4.426 1.00 0.00 H new ATOM 0 HA GLN A 86 5.186 -13.589 -6.107 1.00 0.00 H new ATOM 0 HB2 GLN A 86 7.141 -12.729 -4.380 1.00 0.00 H new ATOM 0 HB3 GLN A 86 6.179 -13.745 -3.326 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.335 -15.619 -4.962 1.00 0.00 H new ATOM 0 HG3 GLN A 86 7.255 -14.604 -6.055 1.00 0.00 H new ATOM 0 HE21 GLN A 86 8.034 -17.103 -4.906 1.00 0.00 H new ATOM 0 HE22 GLN A 86 9.483 -16.835 -3.931 1.00 0.00 H new ATOM 1340 N LEU A 87 3.560 -14.873 -4.653 1.00 0.00 N ATOM 1341 CA LEU A 87 2.389 -15.472 -4.036 1.00 0.00 C ATOM 1342 C LEU A 87 2.809 -16.729 -3.270 1.00 0.00 C ATOM 1343 O LEU A 87 3.502 -17.588 -3.812 1.00 0.00 O ATOM 1344 CB LEU A 87 1.301 -15.725 -5.082 1.00 0.00 C ATOM 1345 CG LEU A 87 1.186 -17.160 -5.597 1.00 0.00 C ATOM 1346 CD1 LEU A 87 0.677 -18.097 -4.499 1.00 0.00 C ATOM 1347 CD2 LEU A 87 0.315 -17.224 -6.853 1.00 0.00 C ATOM 0 H LEU A 87 4.076 -15.491 -5.279 1.00 0.00 H new ATOM 0 HA LEU A 87 1.948 -14.787 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.341 -15.435 -4.656 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.483 -15.068 -5.933 1.00 0.00 H new ATOM 0 HG LEU A 87 2.182 -17.503 -5.878 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.604 -19.111 -4.891 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.370 -18.082 -3.658 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.306 -17.766 -4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.250 -18.256 -7.198 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.684 -16.855 -6.622 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.758 -16.607 -7.635 1.00 0.00 H new ATOM 1359 N GLU A 88 2.372 -16.794 -2.020 1.00 0.00 N ATOM 1360 CA GLU A 88 2.693 -17.932 -1.174 1.00 0.00 C ATOM 1361 C GLU A 88 1.553 -18.202 -0.192 1.00 0.00 C ATOM 1362 O GLU A 88 1.487 -17.589 0.873 1.00 0.00 O ATOM 1363 CB GLU A 88 4.014 -17.707 -0.435 1.00 0.00 C ATOM 1364 CG GLU A 88 4.877 -18.971 -0.459 1.00 0.00 C ATOM 1365 CD GLU A 88 6.361 -18.618 -0.583 1.00 0.00 C ATOM 1366 OE1 GLU A 88 6.880 -17.827 0.219 1.00 0.00 O ATOM 1367 OE2 GLU A 88 6.979 -19.198 -1.555 1.00 0.00 O ATOM 0 H GLU A 88 1.799 -16.078 -1.573 1.00 0.00 H new ATOM 0 HA GLU A 88 2.813 -18.811 -1.808 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.557 -16.882 -0.896 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.813 -17.419 0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.711 -19.547 0.452 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.579 -19.604 -1.295 1.00 0.00 H new ATOM 1375 N GLY A 89 0.681 -19.120 -0.584 1.00 0.00 N ATOM 1376 CA GLY A 89 -0.454 -19.478 0.248 1.00 0.00 C ATOM 1377 C GLY A 89 -1.746 -19.515 -0.571 1.00 0.00 C ATOM 1378 O GLY A 89 -1.734 -19.905 -1.737 1.00 0.00 O ATOM 0 H GLY A 89 0.738 -19.626 -1.468 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.281 -20.452 0.705 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.555 -18.758 1.060 1.00 0.00 H new ATOM 1382 N ASP A 90 -2.828 -19.102 0.072 1.00 0.00 N ATOM 1383 CA ASP A 90 -4.125 -19.082 -0.583 1.00 0.00 C ATOM 1384 C ASP A 90 -4.507 -17.635 -0.904 1.00 0.00 C ATOM 1385 O ASP A 90 -5.093 -17.363 -1.951 1.00 0.00 O ATOM 1386 CB ASP A 90 -5.209 -19.667 0.325 1.00 0.00 C ATOM 1387 CG ASP A 90 -5.890 -20.928 -0.212 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -5.520 -22.056 0.147 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -6.852 -20.715 -1.044 1.00 0.00 O ATOM 0 H ASP A 90 -2.833 -18.779 1.039 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.054 -19.680 -1.491 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.766 -19.896 1.294 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.970 -18.905 0.495 1.00 0.00 H new ATOM 1395 N ASN A 91 -4.161 -16.748 0.016 1.00 0.00 N ATOM 1396 CA ASN A 91 -4.461 -15.336 -0.156 1.00 0.00 C ATOM 1397 C ASN A 91 -3.361 -14.502 0.505 1.00 0.00 C ATOM 1398 O ASN A 91 -3.643 -13.661 1.358 1.00 0.00 O ATOM 1399 CB ASN A 91 -5.792 -14.972 0.505 1.00 0.00 C ATOM 1400 CG ASN A 91 -6.898 -15.940 0.079 1.00 0.00 C ATOM 1401 OD1 ASN A 91 -7.125 -16.186 -1.093 1.00 0.00 O ATOM 1402 ND2 ASN A 91 -7.571 -16.472 1.096 1.00 0.00 N ATOM 0 H ASN A 91 -3.676 -16.979 0.883 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.521 -15.131 -1.225 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.682 -14.994 1.589 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.071 -13.954 0.234 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.330 -17.130 0.917 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.328 -16.222 2.055 1.00 0.00 H new ATOM 1409 N LYS A 92 -2.132 -14.762 0.085 1.00 0.00 N ATOM 1410 CA LYS A 92 -0.989 -14.046 0.625 1.00 0.00 C ATOM 1411 C LYS A 92 -0.059 -13.641 -0.520 1.00 0.00 C ATOM 1412 O LYS A 92 0.310 -14.472 -1.347 1.00 0.00 O ATOM 1413 CB LYS A 92 -0.301 -14.875 1.712 1.00 0.00 C ATOM 1414 CG LYS A 92 0.985 -14.197 2.188 1.00 0.00 C ATOM 1415 CD LYS A 92 2.086 -15.227 2.442 1.00 0.00 C ATOM 1416 CE LYS A 92 3.234 -14.615 3.249 1.00 0.00 C ATOM 1417 NZ LYS A 92 3.724 -15.575 4.262 1.00 0.00 N ATOM 0 H LYS A 92 -1.903 -15.459 -0.623 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.312 -13.127 1.114 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.979 -15.010 2.555 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -0.071 -15.868 1.326 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.320 -13.479 1.440 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.788 -13.637 3.102 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.673 -16.081 2.980 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.465 -15.602 1.491 1.00 0.00 H new ATOM 0 HE2 LYS A 92 4.048 -14.336 2.580 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.896 -13.702 3.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 4.502 -15.144 4.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 2.949 -15.821 4.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 4.066 -16.436 3.788 1.00 0.00 H new ATOM 1430 N LEU A 93 0.293 -12.363 -0.531 1.00 0.00 N ATOM 1431 CA LEU A 93 1.172 -11.837 -1.561 1.00 0.00 C ATOM 1432 C LEU A 93 2.417 -11.238 -0.904 1.00 0.00 C ATOM 1433 O LEU A 93 2.322 -10.576 0.128 1.00 0.00 O ATOM 1434 CB LEU A 93 0.418 -10.856 -2.460 1.00 0.00 C ATOM 1435 CG LEU A 93 -0.790 -11.424 -3.208 1.00 0.00 C ATOM 1436 CD1 LEU A 93 -2.046 -10.594 -2.932 1.00 0.00 C ATOM 1437 CD2 LEU A 93 -0.501 -11.546 -4.705 1.00 0.00 C ATOM 0 H LEU A 93 -0.015 -11.677 0.158 1.00 0.00 H new ATOM 0 HA LEU A 93 1.511 -12.638 -2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.081 -10.019 -1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.118 -10.454 -3.193 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.980 -12.430 -2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.890 -11.019 -3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.261 -10.603 -1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.883 -9.567 -3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.376 -11.952 -5.213 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.270 -10.562 -5.112 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.349 -12.211 -4.858 1.00 0.00 H new ATOM 1449 N VAL A 94 3.557 -11.491 -1.531 1.00 0.00 N ATOM 1450 CA VAL A 94 4.819 -10.984 -1.020 1.00 0.00 C ATOM 1451 C VAL A 94 5.508 -10.154 -2.106 1.00 0.00 C ATOM 1452 O VAL A 94 5.855 -10.676 -3.164 1.00 0.00 O ATOM 1453 CB VAL A 94 5.683 -12.142 -0.516 1.00 0.00 C ATOM 1454 CG1 VAL A 94 6.934 -11.624 0.195 1.00 0.00 C ATOM 1455 CG2 VAL A 94 4.878 -13.070 0.396 1.00 0.00 C ATOM 0 H VAL A 94 3.633 -12.040 -2.387 1.00 0.00 H new ATOM 0 HA VAL A 94 4.649 -10.327 -0.167 1.00 0.00 H new ATOM 0 HB VAL A 94 6.006 -12.721 -1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.530 -12.467 0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.524 -11.024 -0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.641 -11.011 1.047 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.515 -13.884 0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.512 -12.508 1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.033 -13.480 -0.157 1.00 0.00 H new ATOM 1465 N THR A 95 5.682 -8.875 -1.807 1.00 0.00 N ATOM 1466 CA THR A 95 6.322 -7.968 -2.744 1.00 0.00 C ATOM 1467 C THR A 95 7.371 -7.115 -2.029 1.00 0.00 C ATOM 1468 O THR A 95 7.215 -6.790 -0.852 1.00 0.00 O ATOM 1469 CB THR A 95 5.229 -7.143 -3.425 1.00 0.00 C ATOM 1470 OG1 THR A 95 5.824 -5.862 -3.611 1.00 0.00 O ATOM 1471 CG2 THR A 95 4.040 -6.871 -2.501 1.00 0.00 C ATOM 0 H THR A 95 5.391 -8.445 -0.929 1.00 0.00 H new ATOM 0 HA THR A 95 6.865 -8.515 -3.515 1.00 0.00 H new ATOM 0 HB THR A 95 4.884 -7.665 -4.317 1.00 0.00 H new ATOM 0 HG1 THR A 95 6.198 -5.803 -4.515 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.293 -6.282 -3.033 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.600 -7.817 -2.187 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.379 -6.320 -1.624 1.00 0.00 H new ATOM 1479 N THR A 96 8.416 -6.774 -2.769 1.00 0.00 N ATOM 1480 CA THR A 96 9.489 -5.963 -2.220 1.00 0.00 C ATOM 1481 C THR A 96 9.673 -4.690 -3.047 1.00 0.00 C ATOM 1482 O THR A 96 9.338 -4.660 -4.230 1.00 0.00 O ATOM 1483 CB THR A 96 10.748 -6.829 -2.151 1.00 0.00 C ATOM 1484 OG1 THR A 96 10.252 -8.145 -1.914 1.00 0.00 O ATOM 1485 CG2 THR A 96 11.602 -6.527 -0.918 1.00 0.00 C ATOM 0 H THR A 96 8.542 -7.045 -3.744 1.00 0.00 H new ATOM 0 HA THR A 96 9.252 -5.626 -1.211 1.00 0.00 H new ATOM 0 HB THR A 96 11.343 -6.674 -3.051 1.00 0.00 H new ATOM 0 HG1 THR A 96 11.003 -8.772 -1.857 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.482 -7.170 -0.919 1.00 0.00 H new ATOM 0 HG22 THR A 96 11.915 -5.483 -0.939 1.00 0.00 H new ATOM 0 HG23 THR A 96 11.018 -6.713 -0.017 1.00 0.00 H new ATOM 1493 N PHE A 97 10.204 -3.668 -2.392 1.00 0.00 N ATOM 1494 CA PHE A 97 10.437 -2.395 -3.053 1.00 0.00 C ATOM 1495 C PHE A 97 11.731 -1.747 -2.555 1.00 0.00 C ATOM 1496 O PHE A 97 11.790 -1.254 -1.430 1.00 0.00 O ATOM 1497 CB PHE A 97 9.258 -1.486 -2.699 1.00 0.00 C ATOM 1498 CG PHE A 97 9.628 -0.007 -2.574 1.00 0.00 C ATOM 1499 CD1 PHE A 97 10.513 0.549 -3.444 1.00 0.00 C ATOM 1500 CD2 PHE A 97 9.071 0.753 -1.592 1.00 0.00 C ATOM 1501 CE1 PHE A 97 10.857 1.922 -3.327 1.00 0.00 C ATOM 1502 CE2 PHE A 97 9.414 2.125 -1.476 1.00 0.00 C ATOM 1503 CZ PHE A 97 10.300 2.681 -2.346 1.00 0.00 C ATOM 0 H PHE A 97 10.480 -3.696 -1.410 1.00 0.00 H new ATOM 0 HA PHE A 97 10.528 -2.545 -4.129 1.00 0.00 H new ATOM 0 HB2 PHE A 97 8.487 -1.594 -3.462 1.00 0.00 H new ATOM 0 HB3 PHE A 97 8.823 -1.822 -1.758 1.00 0.00 H new ATOM 0 HD1 PHE A 97 10.954 -0.054 -4.224 1.00 0.00 H new ATOM 0 HD2 PHE A 97 8.368 0.312 -0.901 1.00 0.00 H new ATOM 0 HE1 PHE A 97 11.561 2.363 -4.017 1.00 0.00 H new ATOM 0 HE2 PHE A 97 8.972 2.728 -0.697 1.00 0.00 H new ATOM 0 HZ PHE A 97 10.561 3.725 -2.257 1.00 0.00 H new ATOM 1513 N LYS A 98 12.736 -1.770 -3.418 1.00 0.00 N ATOM 1514 CA LYS A 98 14.026 -1.192 -3.081 1.00 0.00 C ATOM 1515 C LYS A 98 14.685 -2.030 -1.984 1.00 0.00 C ATOM 1516 O LYS A 98 14.583 -3.256 -1.990 1.00 0.00 O ATOM 1517 CB LYS A 98 13.870 0.287 -2.714 1.00 0.00 C ATOM 1518 CG LYS A 98 15.108 1.086 -3.127 1.00 0.00 C ATOM 1519 CD LYS A 98 15.624 1.936 -1.964 1.00 0.00 C ATOM 1520 CE LYS A 98 17.150 1.881 -1.879 1.00 0.00 C ATOM 1521 NZ LYS A 98 17.743 3.142 -2.377 1.00 0.00 N ATOM 0 H LYS A 98 12.683 -2.180 -4.350 1.00 0.00 H new ATOM 0 HA LYS A 98 14.691 -1.216 -3.944 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.987 0.697 -3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 98 13.711 0.384 -1.640 1.00 0.00 H new ATOM 0 HG2 LYS A 98 15.891 0.405 -3.460 1.00 0.00 H new ATOM 0 HG3 LYS A 98 14.865 1.729 -3.973 1.00 0.00 H new ATOM 0 HD2 LYS A 98 15.300 2.969 -2.092 1.00 0.00 H new ATOM 0 HD3 LYS A 98 15.191 1.580 -1.029 1.00 0.00 H new ATOM 0 HE2 LYS A 98 17.457 1.711 -0.847 1.00 0.00 H new ATOM 0 HE3 LYS A 98 17.523 1.041 -2.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 18.780 3.088 -2.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 17.465 3.288 -3.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 17.401 3.938 -1.801 1.00 0.00 H new ATOM 1534 N ASN A 99 15.348 -1.337 -1.071 1.00 0.00 N ATOM 1535 CA ASN A 99 16.024 -2.003 0.029 1.00 0.00 C ATOM 1536 C ASN A 99 15.043 -2.188 1.189 1.00 0.00 C ATOM 1537 O ASN A 99 15.451 -2.481 2.311 1.00 0.00 O ATOM 1538 CB ASN A 99 17.202 -1.169 0.537 1.00 0.00 C ATOM 1539 CG ASN A 99 18.433 -2.047 0.773 1.00 0.00 C ATOM 1540 OD1 ASN A 99 18.650 -3.048 0.109 1.00 0.00 O ATOM 1541 ND2 ASN A 99 19.225 -1.618 1.752 1.00 0.00 N ATOM 0 H ASN A 99 15.432 -0.320 -1.070 1.00 0.00 H new ATOM 0 HA ASN A 99 16.390 -2.964 -0.333 1.00 0.00 H new ATOM 0 HB2 ASN A 99 17.440 -0.390 -0.187 1.00 0.00 H new ATOM 0 HB3 ASN A 99 16.925 -0.668 1.465 1.00 0.00 H new ATOM 0 HD21 ASN A 99 20.072 -2.135 1.986 1.00 0.00 H new ATOM 0 HD22 ASN A 99 18.985 -0.772 2.269 1.00 0.00 H new ATOM 1548 N ILE A 100 13.768 -2.009 0.877 1.00 0.00 N ATOM 1549 CA ILE A 100 12.725 -2.153 1.878 1.00 0.00 C ATOM 1550 C ILE A 100 12.069 -3.527 1.731 1.00 0.00 C ATOM 1551 O ILE A 100 11.766 -3.960 0.620 1.00 0.00 O ATOM 1552 CB ILE A 100 11.737 -0.988 1.794 1.00 0.00 C ATOM 1553 CG1 ILE A 100 12.473 0.352 1.744 1.00 0.00 C ATOM 1554 CG2 ILE A 100 10.725 -1.044 2.941 1.00 0.00 C ATOM 1555 CD1 ILE A 100 11.659 1.396 0.978 1.00 0.00 C ATOM 0 H ILE A 100 13.434 -1.765 -0.055 1.00 0.00 H new ATOM 0 HA ILE A 100 13.151 -2.108 2.880 1.00 0.00 H new ATOM 0 HB ILE A 100 11.176 -1.082 0.864 1.00 0.00 H new ATOM 0 HG12 ILE A 100 12.662 0.705 2.758 1.00 0.00 H new ATOM 0 HG13 ILE A 100 13.444 0.220 1.266 1.00 0.00 H new ATOM 0 HG21 ILE A 100 10.034 -0.205 2.858 1.00 0.00 H new ATOM 0 HG22 ILE A 100 10.168 -1.979 2.889 1.00 0.00 H new ATOM 0 HG23 ILE A 100 11.251 -0.988 3.894 1.00 0.00 H new ATOM 0 HD11 ILE A 100 12.205 2.339 0.957 1.00 0.00 H new ATOM 0 HD12 ILE A 100 11.493 1.051 -0.042 1.00 0.00 H new ATOM 0 HD13 ILE A 100 10.699 1.543 1.472 1.00 0.00 H new ATOM 1567 N LYS A 101 11.868 -4.177 2.868 1.00 0.00 N ATOM 1568 CA LYS A 101 11.253 -5.493 2.880 1.00 0.00 C ATOM 1569 C LYS A 101 9.831 -5.383 3.433 1.00 0.00 C ATOM 1570 O LYS A 101 9.637 -4.980 4.580 1.00 0.00 O ATOM 1571 CB LYS A 101 12.133 -6.489 3.640 1.00 0.00 C ATOM 1572 CG LYS A 101 11.790 -6.496 5.132 1.00 0.00 C ATOM 1573 CD LYS A 101 12.914 -7.136 5.949 1.00 0.00 C ATOM 1574 CE LYS A 101 12.381 -8.286 6.806 1.00 0.00 C ATOM 1575 NZ LYS A 101 11.809 -7.769 8.069 1.00 0.00 N ATOM 0 H LYS A 101 12.121 -3.816 3.788 1.00 0.00 H new ATOM 0 HA LYS A 101 11.171 -5.884 1.866 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.997 -7.489 3.227 1.00 0.00 H new ATOM 0 HB3 LYS A 101 13.183 -6.229 3.506 1.00 0.00 H new ATOM 0 HG2 LYS A 101 11.622 -5.475 5.475 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.861 -7.043 5.293 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.690 -7.506 5.279 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.377 -6.385 6.589 1.00 0.00 H new ATOM 0 HE2 LYS A 101 11.620 -8.836 6.254 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.186 -8.988 7.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 11.452 -8.562 8.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.545 -7.264 8.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.027 -7.117 7.855 1.00 0.00 H new ATOM 1588 N SER A 102 8.874 -5.746 2.593 1.00 0.00 N ATOM 1589 CA SER A 102 7.476 -5.692 2.983 1.00 0.00 C ATOM 1590 C SER A 102 6.846 -7.083 2.869 1.00 0.00 C ATOM 1591 O SER A 102 7.300 -7.911 2.081 1.00 0.00 O ATOM 1592 CB SER A 102 6.702 -4.689 2.126 1.00 0.00 C ATOM 1593 OG SER A 102 6.248 -5.267 0.905 1.00 0.00 O ATOM 0 H SER A 102 9.039 -6.079 1.643 1.00 0.00 H new ATOM 0 HA SER A 102 7.424 -5.359 4.020 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.847 -4.315 2.689 1.00 0.00 H new ATOM 0 HB3 SER A 102 7.339 -3.832 1.906 1.00 0.00 H new ATOM 0 HG SER A 102 7.009 -5.653 0.423 1.00 0.00 H new ATOM 1599 N VAL A 103 5.811 -7.297 3.668 1.00 0.00 N ATOM 1600 CA VAL A 103 5.116 -8.572 3.667 1.00 0.00 C ATOM 1601 C VAL A 103 3.606 -8.325 3.651 1.00 0.00 C ATOM 1602 O VAL A 103 3.069 -7.679 4.550 1.00 0.00 O ATOM 1603 CB VAL A 103 5.571 -9.417 4.859 1.00 0.00 C ATOM 1604 CG1 VAL A 103 4.630 -10.603 5.080 1.00 0.00 C ATOM 1605 CG2 VAL A 103 7.015 -9.889 4.677 1.00 0.00 C ATOM 0 H VAL A 103 5.437 -6.608 4.321 1.00 0.00 H new ATOM 0 HA VAL A 103 5.362 -9.140 2.770 1.00 0.00 H new ATOM 0 HB VAL A 103 5.534 -8.789 5.749 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.975 -11.188 5.933 1.00 0.00 H new ATOM 0 HG12 VAL A 103 3.622 -10.236 5.276 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.621 -11.231 4.189 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.313 -10.487 5.538 1.00 0.00 H new ATOM 0 HG22 VAL A 103 7.089 -10.493 3.772 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.672 -9.024 4.591 1.00 0.00 H new ATOM 1615 N THR A 104 2.963 -8.852 2.620 1.00 0.00 N ATOM 1616 CA THR A 104 1.526 -8.696 2.475 1.00 0.00 C ATOM 1617 C THR A 104 0.810 -10.003 2.821 1.00 0.00 C ATOM 1618 O THR A 104 1.269 -11.084 2.451 1.00 0.00 O ATOM 1619 CB THR A 104 1.243 -8.208 1.053 1.00 0.00 C ATOM 1620 OG1 THR A 104 2.506 -7.734 0.592 1.00 0.00 O ATOM 1621 CG2 THR A 104 0.348 -6.968 1.026 1.00 0.00 C ATOM 0 H THR A 104 3.411 -9.388 1.877 1.00 0.00 H new ATOM 0 HA THR A 104 1.138 -7.954 3.172 1.00 0.00 H new ATOM 0 HB THR A 104 0.772 -9.008 0.482 1.00 0.00 H new ATOM 0 HG1 THR A 104 2.989 -8.465 0.153 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.179 -6.664 -0.007 1.00 0.00 H new ATOM 0 HG22 THR A 104 -0.607 -7.198 1.498 1.00 0.00 H new ATOM 0 HG23 THR A 104 0.834 -6.157 1.568 1.00 0.00 H new ATOM 1629 N GLU A 105 -0.302 -9.863 3.528 1.00 0.00 N ATOM 1630 CA GLU A 105 -1.085 -11.019 3.929 1.00 0.00 C ATOM 1631 C GLU A 105 -2.576 -10.675 3.933 1.00 0.00 C ATOM 1632 O GLU A 105 -2.983 -9.671 4.516 1.00 0.00 O ATOM 1633 CB GLU A 105 -0.638 -11.538 5.297 1.00 0.00 C ATOM 1634 CG GLU A 105 -0.860 -13.047 5.412 1.00 0.00 C ATOM 1635 CD GLU A 105 -1.046 -13.465 6.872 1.00 0.00 C ATOM 1636 OE1 GLU A 105 -1.927 -12.931 7.563 1.00 0.00 O ATOM 1637 OE2 GLU A 105 -0.234 -14.378 7.285 1.00 0.00 O ATOM 0 H GLU A 105 -0.679 -8.966 3.833 1.00 0.00 H new ATOM 0 HA GLU A 105 -0.918 -11.815 3.204 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.417 -11.310 5.449 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -1.192 -11.025 6.083 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -1.738 -13.334 4.833 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -0.009 -13.577 4.984 1.00 0.00 H new ATOM 1645 N LEU A 106 -3.349 -11.528 3.278 1.00 0.00 N ATOM 1646 CA LEU A 106 -4.786 -11.326 3.198 1.00 0.00 C ATOM 1647 C LEU A 106 -5.488 -12.331 4.115 1.00 0.00 C ATOM 1648 O LEU A 106 -5.346 -13.540 3.940 1.00 0.00 O ATOM 1649 CB LEU A 106 -5.257 -11.386 1.745 1.00 0.00 C ATOM 1650 CG LEU A 106 -5.935 -10.124 1.206 1.00 0.00 C ATOM 1651 CD1 LEU A 106 -7.190 -9.789 2.014 1.00 0.00 C ATOM 1652 CD2 LEU A 106 -4.953 -8.952 1.160 1.00 0.00 C ATOM 0 H LEU A 106 -3.008 -12.361 2.798 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.051 -10.330 3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.397 -11.610 1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.952 -12.219 1.643 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.254 -10.318 0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.653 -8.888 1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.895 -10.618 1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.918 -9.622 3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.460 -8.068 0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.583 -8.748 2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.116 -9.204 0.509 1.00 0.00 H new ATOM 1664 N ASN A 107 -6.232 -11.793 5.070 1.00 0.00 N ATOM 1665 CA ASN A 107 -6.957 -12.627 6.013 1.00 0.00 C ATOM 1666 C ASN A 107 -8.334 -12.015 6.276 1.00 0.00 C ATOM 1667 O ASN A 107 -8.435 -10.866 6.705 1.00 0.00 O ATOM 1668 CB ASN A 107 -6.217 -12.719 7.349 1.00 0.00 C ATOM 1669 CG ASN A 107 -5.740 -14.148 7.615 1.00 0.00 C ATOM 1670 OD1 ASN A 107 -6.272 -14.864 8.447 1.00 0.00 O ATOM 1671 ND2 ASN A 107 -4.709 -14.523 6.863 1.00 0.00 N ATOM 0 H ASN A 107 -6.348 -10.790 5.211 1.00 0.00 H new ATOM 0 HA ASN A 107 -7.047 -13.624 5.581 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -5.363 -12.042 7.343 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.874 -12.395 8.156 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -4.317 -15.459 6.965 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -4.310 -13.874 6.184 1.00 0.00 H new ATOM 1678 N GLY A 108 -9.360 -12.809 6.009 1.00 0.00 N ATOM 1679 CA GLY A 108 -10.727 -12.358 6.211 1.00 0.00 C ATOM 1680 C GLY A 108 -10.966 -11.009 5.530 1.00 0.00 C ATOM 1681 O GLY A 108 -11.082 -10.940 4.307 1.00 0.00 O ATOM 0 H GLY A 108 -9.273 -13.761 5.655 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -11.421 -13.098 5.812 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -10.931 -12.272 7.278 1.00 0.00 H new ATOM 1685 N ASP A 109 -11.036 -9.972 6.350 1.00 0.00 N ATOM 1686 CA ASP A 109 -11.259 -8.629 5.841 1.00 0.00 C ATOM 1687 C ASP A 109 -10.172 -7.697 6.378 1.00 0.00 C ATOM 1688 O ASP A 109 -10.307 -6.476 6.310 1.00 0.00 O ATOM 1689 CB ASP A 109 -12.616 -8.086 6.297 1.00 0.00 C ATOM 1690 CG ASP A 109 -13.815 -8.972 5.954 1.00 0.00 C ATOM 1691 OD1 ASP A 109 -13.835 -10.170 6.270 1.00 0.00 O ATOM 1692 OD2 ASP A 109 -14.772 -8.375 5.326 1.00 0.00 O ATOM 0 H ASP A 109 -10.942 -10.034 7.364 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.235 -8.673 4.752 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -12.588 -7.940 7.377 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -12.768 -7.105 5.847 1.00 0.00 H new ATOM 1698 N ILE A 110 -9.119 -8.307 6.900 1.00 0.00 N ATOM 1699 CA ILE A 110 -8.008 -7.547 7.448 1.00 0.00 C ATOM 1700 C ILE A 110 -6.772 -7.751 6.570 1.00 0.00 C ATOM 1701 O ILE A 110 -6.579 -8.826 6.004 1.00 0.00 O ATOM 1702 CB ILE A 110 -7.785 -7.909 8.918 1.00 0.00 C ATOM 1703 CG1 ILE A 110 -9.046 -7.647 9.744 1.00 0.00 C ATOM 1704 CG2 ILE A 110 -6.567 -7.176 9.484 1.00 0.00 C ATOM 1705 CD1 ILE A 110 -10.046 -8.796 9.597 1.00 0.00 C ATOM 0 H ILE A 110 -9.011 -9.320 6.955 1.00 0.00 H new ATOM 0 HA ILE A 110 -8.234 -6.481 7.437 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.576 -8.977 8.979 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -8.779 -7.525 10.794 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -9.509 -6.714 9.422 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.431 -7.451 10.530 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.679 -7.455 8.917 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -6.723 -6.100 9.409 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.933 -8.585 10.194 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -10.330 -8.900 8.550 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.588 -9.723 9.942 1.00 0.00 H new ATOM 1717 N ILE A 111 -5.966 -6.702 6.484 1.00 0.00 N ATOM 1718 CA ILE A 111 -4.755 -6.754 5.685 1.00 0.00 C ATOM 1719 C ILE A 111 -3.559 -6.361 6.554 1.00 0.00 C ATOM 1720 O ILE A 111 -3.553 -5.291 7.160 1.00 0.00 O ATOM 1721 CB ILE A 111 -4.907 -5.899 4.425 1.00 0.00 C ATOM 1722 CG1 ILE A 111 -6.047 -6.416 3.545 1.00 0.00 C ATOM 1723 CG2 ILE A 111 -3.586 -5.811 3.659 1.00 0.00 C ATOM 1724 CD1 ILE A 111 -6.592 -5.305 2.644 1.00 0.00 C ATOM 0 H ILE A 111 -6.129 -5.812 6.955 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.574 -7.770 5.333 1.00 0.00 H new ATOM 0 HB ILE A 111 -5.170 -4.886 4.730 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -5.691 -7.244 2.932 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.848 -6.805 4.173 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -3.722 -5.198 2.768 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.825 -5.361 4.297 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.268 -6.812 3.366 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -7.401 -5.699 2.029 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -6.969 -4.489 3.260 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -5.794 -4.935 2.000 1.00 0.00 H new ATOM 1736 N THR A 112 -2.575 -7.248 6.585 1.00 0.00 N ATOM 1737 CA THR A 112 -1.376 -7.007 7.371 1.00 0.00 C ATOM 1738 C THR A 112 -0.183 -6.728 6.452 1.00 0.00 C ATOM 1739 O THR A 112 0.266 -7.615 5.728 1.00 0.00 O ATOM 1740 CB THR A 112 -1.164 -8.210 8.292 1.00 0.00 C ATOM 1741 OG1 THR A 112 -2.235 -8.121 9.229 1.00 0.00 O ATOM 1742 CG2 THR A 112 0.095 -8.075 9.152 1.00 0.00 C ATOM 0 H THR A 112 -2.583 -8.134 6.079 1.00 0.00 H new ATOM 0 HA THR A 112 -1.483 -6.118 7.993 1.00 0.00 H new ATOM 0 HB THR A 112 -1.099 -9.119 7.694 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.176 -8.865 9.864 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.198 -8.955 9.787 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.969 -7.989 8.506 1.00 0.00 H new ATOM 0 HG23 THR A 112 0.016 -7.185 9.776 1.00 0.00 H new ATOM 1750 N ASN A 113 0.293 -5.494 6.513 1.00 0.00 N ATOM 1751 CA ASN A 113 1.424 -5.088 5.695 1.00 0.00 C ATOM 1752 C ASN A 113 2.468 -4.405 6.581 1.00 0.00 C ATOM 1753 O ASN A 113 2.140 -3.505 7.352 1.00 0.00 O ATOM 1754 CB ASN A 113 0.994 -4.091 4.618 1.00 0.00 C ATOM 1755 CG ASN A 113 -0.217 -4.612 3.840 1.00 0.00 C ATOM 1756 OD1 ASN A 113 -0.635 -5.749 3.982 1.00 0.00 O ATOM 1757 ND2 ASN A 113 -0.755 -3.719 3.014 1.00 0.00 N ATOM 0 H ASN A 113 -0.083 -4.762 7.115 1.00 0.00 H new ATOM 0 HA ASN A 113 1.834 -5.979 5.219 1.00 0.00 H new ATOM 0 HB2 ASN A 113 0.750 -3.134 5.080 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.822 -3.912 3.932 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -1.568 -3.970 2.451 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.355 -2.783 2.944 1.00 0.00 H new ATOM 1764 N THR A 114 3.705 -4.859 6.440 1.00 0.00 N ATOM 1765 CA THR A 114 4.799 -4.303 7.217 1.00 0.00 C ATOM 1766 C THR A 114 5.760 -3.532 6.310 1.00 0.00 C ATOM 1767 O THR A 114 5.863 -3.822 5.119 1.00 0.00 O ATOM 1768 CB THR A 114 5.470 -5.450 7.977 1.00 0.00 C ATOM 1769 OG1 THR A 114 4.412 -6.373 8.215 1.00 0.00 O ATOM 1770 CG2 THR A 114 5.926 -5.037 9.377 1.00 0.00 C ATOM 0 H THR A 114 3.973 -5.606 5.799 1.00 0.00 H new ATOM 0 HA THR A 114 4.437 -3.578 7.946 1.00 0.00 H new ATOM 0 HB THR A 114 6.327 -5.810 7.408 1.00 0.00 H new ATOM 0 HG1 THR A 114 4.759 -7.149 8.702 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.395 -5.887 9.872 1.00 0.00 H new ATOM 0 HG22 THR A 114 6.644 -4.221 9.300 1.00 0.00 H new ATOM 0 HG23 THR A 114 5.064 -4.708 9.958 1.00 0.00 H new ATOM 1778 N MET A 115 6.439 -2.564 6.907 1.00 0.00 N ATOM 1779 CA MET A 115 7.387 -1.748 6.169 1.00 0.00 C ATOM 1780 C MET A 115 8.569 -1.344 7.053 1.00 0.00 C ATOM 1781 O MET A 115 8.383 -0.960 8.207 1.00 0.00 O ATOM 1782 CB MET A 115 6.686 -0.493 5.649 1.00 0.00 C ATOM 1783 CG MET A 115 5.794 -0.819 4.449 1.00 0.00 C ATOM 1784 SD MET A 115 6.801 -1.269 3.045 1.00 0.00 S ATOM 1785 CE MET A 115 5.724 -0.763 1.716 1.00 0.00 C ATOM 0 H MET A 115 6.351 -2.326 7.895 1.00 0.00 H new ATOM 0 HA MET A 115 7.767 -2.335 5.333 1.00 0.00 H new ATOM 0 HB2 MET A 115 6.085 -0.052 6.444 1.00 0.00 H new ATOM 0 HB3 MET A 115 7.430 0.251 5.362 1.00 0.00 H new ATOM 0 HG2 MET A 115 5.118 -1.637 4.699 1.00 0.00 H new ATOM 0 HG3 MET A 115 5.174 0.043 4.201 1.00 0.00 H new ATOM 0 HE1 MET A 115 6.202 -0.974 0.760 1.00 0.00 H new ATOM 0 HE2 MET A 115 4.784 -1.311 1.781 1.00 0.00 H new ATOM 0 HE3 MET A 115 5.527 0.306 1.795 1.00 0.00 H new ATOM 1795 N THR A 116 9.759 -1.445 6.479 1.00 0.00 N ATOM 1796 CA THR A 116 10.970 -1.095 7.200 1.00 0.00 C ATOM 1797 C THR A 116 11.715 0.029 6.477 1.00 0.00 C ATOM 1798 O THR A 116 12.190 -0.156 5.357 1.00 0.00 O ATOM 1799 CB THR A 116 11.804 -2.366 7.369 1.00 0.00 C ATOM 1800 OG1 THR A 116 13.080 -1.892 7.791 1.00 0.00 O ATOM 1801 CG2 THR A 116 12.088 -3.062 6.036 1.00 0.00 C ATOM 0 H THR A 116 9.910 -1.765 5.522 1.00 0.00 H new ATOM 0 HA THR A 116 10.741 -0.705 8.192 1.00 0.00 H new ATOM 0 HB THR A 116 11.284 -3.054 8.035 1.00 0.00 H new ATOM 0 HG1 THR A 116 13.683 -2.652 7.926 1.00 0.00 H new ATOM 0 HG21 THR A 116 12.683 -3.958 6.213 1.00 0.00 H new ATOM 0 HG22 THR A 116 11.146 -3.339 5.562 1.00 0.00 H new ATOM 0 HG23 THR A 116 12.637 -2.385 5.382 1.00 0.00 H new ATOM 1809 N LEU A 117 11.795 1.170 7.147 1.00 0.00 N ATOM 1810 CA LEU A 117 12.474 2.323 6.582 1.00 0.00 C ATOM 1811 C LEU A 117 13.185 3.089 7.700 1.00 0.00 C ATOM 1812 O LEU A 117 12.659 3.208 8.807 1.00 0.00 O ATOM 1813 CB LEU A 117 11.496 3.179 5.776 1.00 0.00 C ATOM 1814 CG LEU A 117 11.830 3.365 4.295 1.00 0.00 C ATOM 1815 CD1 LEU A 117 10.561 3.354 3.440 1.00 0.00 C ATOM 1816 CD2 LEU A 117 12.659 4.631 4.074 1.00 0.00 C ATOM 0 H LEU A 117 11.401 1.320 8.076 1.00 0.00 H new ATOM 0 HA LEU A 117 13.240 2.005 5.875 1.00 0.00 H new ATOM 0 HB2 LEU A 117 10.505 2.731 5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 117 11.437 4.163 6.241 1.00 0.00 H new ATOM 0 HG LEU A 117 12.441 2.521 3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 117 10.827 3.488 2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.047 2.401 3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 117 9.904 4.165 3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 117 12.882 4.739 3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 117 12.096 5.499 4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.591 4.559 4.635 1.00 0.00 H new ATOM 1828 N GLY A 118 14.367 3.588 7.373 1.00 0.00 N ATOM 1829 CA GLY A 118 15.155 4.339 8.336 1.00 0.00 C ATOM 1830 C GLY A 118 15.262 3.586 9.663 1.00 0.00 C ATOM 1831 O GLY A 118 15.163 4.188 10.732 1.00 0.00 O ATOM 0 H GLY A 118 14.799 3.487 6.454 1.00 0.00 H new ATOM 0 HA2 GLY A 118 16.152 4.518 7.934 1.00 0.00 H new ATOM 0 HA3 GLY A 118 14.698 5.315 8.503 1.00 0.00 H new ATOM 1835 N ASP A 119 15.460 2.282 9.553 1.00 0.00 N ATOM 1836 CA ASP A 119 15.581 1.440 10.732 1.00 0.00 C ATOM 1837 C ASP A 119 14.314 1.574 11.580 1.00 0.00 C ATOM 1838 O ASP A 119 14.344 1.334 12.786 1.00 0.00 O ATOM 1839 CB ASP A 119 16.774 1.863 11.591 1.00 0.00 C ATOM 1840 CG ASP A 119 18.076 1.115 11.302 1.00 0.00 C ATOM 1841 OD1 ASP A 119 18.619 0.419 12.174 1.00 0.00 O ATOM 1842 OD2 ASP A 119 18.541 1.268 10.109 1.00 0.00 O ATOM 0 H ASP A 119 15.540 1.786 8.665 1.00 0.00 H new ATOM 0 HA ASP A 119 15.724 0.412 10.400 1.00 0.00 H new ATOM 0 HB2 ASP A 119 16.946 2.930 11.447 1.00 0.00 H new ATOM 0 HB3 ASP A 119 16.516 1.720 12.640 1.00 0.00 H new ATOM 1848 N ILE A 120 13.234 1.958 10.917 1.00 0.00 N ATOM 1849 CA ILE A 120 11.960 2.126 11.596 1.00 0.00 C ATOM 1850 C ILE A 120 10.910 1.235 10.930 1.00 0.00 C ATOM 1851 O ILE A 120 10.625 1.388 9.743 1.00 0.00 O ATOM 1852 CB ILE A 120 11.571 3.606 11.644 1.00 0.00 C ATOM 1853 CG1 ILE A 120 12.637 4.430 12.367 1.00 0.00 C ATOM 1854 CG2 ILE A 120 10.185 3.788 12.266 1.00 0.00 C ATOM 1855 CD1 ILE A 120 12.714 5.849 11.798 1.00 0.00 C ATOM 0 H ILE A 120 13.214 2.158 9.917 1.00 0.00 H new ATOM 0 HA ILE A 120 12.036 1.806 12.635 1.00 0.00 H new ATOM 0 HB ILE A 120 11.516 3.979 10.621 1.00 0.00 H new ATOM 0 HG12 ILE A 120 12.408 4.473 13.432 1.00 0.00 H new ATOM 0 HG13 ILE A 120 13.607 3.942 12.269 1.00 0.00 H new ATOM 0 HG21 ILE A 120 9.933 4.848 12.288 1.00 0.00 H new ATOM 0 HG22 ILE A 120 9.446 3.251 11.671 1.00 0.00 H new ATOM 0 HG23 ILE A 120 10.188 3.394 13.282 1.00 0.00 H new ATOM 0 HD11 ILE A 120 13.480 6.413 12.330 1.00 0.00 H new ATOM 0 HD12 ILE A 120 12.967 5.803 10.739 1.00 0.00 H new ATOM 0 HD13 ILE A 120 11.750 6.342 11.919 1.00 0.00 H new ATOM 1867 N VAL A 121 10.363 0.326 11.724 1.00 0.00 N ATOM 1868 CA VAL A 121 9.350 -0.589 11.225 1.00 0.00 C ATOM 1869 C VAL A 121 8.030 -0.326 11.952 1.00 0.00 C ATOM 1870 O VAL A 121 7.998 -0.245 13.179 1.00 0.00 O ATOM 1871 CB VAL A 121 9.835 -2.034 11.369 1.00 0.00 C ATOM 1872 CG1 VAL A 121 9.926 -2.437 12.843 1.00 0.00 C ATOM 1873 CG2 VAL A 121 8.932 -2.994 10.593 1.00 0.00 C ATOM 0 H VAL A 121 10.602 0.204 12.708 1.00 0.00 H new ATOM 0 HA VAL A 121 9.174 -0.423 10.162 1.00 0.00 H new ATOM 0 HB VAL A 121 10.836 -2.096 10.942 1.00 0.00 H new ATOM 0 HG11 VAL A 121 10.273 -3.468 12.918 1.00 0.00 H new ATOM 0 HG12 VAL A 121 10.627 -1.780 13.357 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.943 -2.351 13.305 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.298 -4.014 10.712 1.00 0.00 H new ATOM 0 HG22 VAL A 121 7.914 -2.927 10.977 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.939 -2.726 9.536 1.00 0.00 H new ATOM 1883 N PHE A 122 6.972 -0.201 11.163 1.00 0.00 N ATOM 1884 CA PHE A 122 5.652 0.051 11.716 1.00 0.00 C ATOM 1885 C PHE A 122 4.636 -0.967 11.195 1.00 0.00 C ATOM 1886 O PHE A 122 4.905 -1.679 10.229 1.00 0.00 O ATOM 1887 CB PHE A 122 5.236 1.450 11.259 1.00 0.00 C ATOM 1888 CG PHE A 122 6.084 2.577 11.851 1.00 0.00 C ATOM 1889 CD1 PHE A 122 6.478 2.519 13.151 1.00 0.00 C ATOM 1890 CD2 PHE A 122 6.443 3.636 11.079 1.00 0.00 C ATOM 1891 CE1 PHE A 122 7.265 3.565 13.703 1.00 0.00 C ATOM 1892 CE2 PHE A 122 7.230 4.683 11.630 1.00 0.00 C ATOM 1893 CZ PHE A 122 7.624 4.624 12.930 1.00 0.00 C ATOM 0 H PHE A 122 7.002 -0.270 10.146 1.00 0.00 H new ATOM 0 HA PHE A 122 5.682 -0.030 12.803 1.00 0.00 H new ATOM 0 HB2 PHE A 122 5.295 1.498 10.172 1.00 0.00 H new ATOM 0 HB3 PHE A 122 4.193 1.614 11.529 1.00 0.00 H new ATOM 0 HD1 PHE A 122 6.192 1.677 13.764 1.00 0.00 H new ATOM 0 HD2 PHE A 122 6.130 3.682 10.046 1.00 0.00 H new ATOM 0 HE1 PHE A 122 7.578 3.519 14.736 1.00 0.00 H new ATOM 0 HE2 PHE A 122 7.515 5.525 11.017 1.00 0.00 H new ATOM 0 HZ PHE A 122 8.223 5.419 13.349 1.00 0.00 H new ATOM 1903 N LYS A 123 3.490 -1.004 11.858 1.00 0.00 N ATOM 1904 CA LYS A 123 2.432 -1.923 11.474 1.00 0.00 C ATOM 1905 C LYS A 123 1.144 -1.135 11.225 1.00 0.00 C ATOM 1906 O LYS A 123 0.888 -0.131 11.887 1.00 0.00 O ATOM 1907 CB LYS A 123 2.282 -3.033 12.515 1.00 0.00 C ATOM 1908 CG LYS A 123 1.874 -2.459 13.873 1.00 0.00 C ATOM 1909 CD LYS A 123 1.564 -3.578 14.871 1.00 0.00 C ATOM 1910 CE LYS A 123 1.009 -3.009 16.178 1.00 0.00 C ATOM 1911 NZ LYS A 123 0.674 -4.101 17.118 1.00 0.00 N ATOM 0 H LYS A 123 3.271 -0.412 12.659 1.00 0.00 H new ATOM 0 HA LYS A 123 2.685 -2.426 10.541 1.00 0.00 H new ATOM 0 HB2 LYS A 123 1.534 -3.752 12.180 1.00 0.00 H new ATOM 0 HB3 LYS A 123 3.223 -3.574 12.613 1.00 0.00 H new ATOM 0 HG2 LYS A 123 2.676 -1.832 14.262 1.00 0.00 H new ATOM 0 HG3 LYS A 123 0.999 -1.820 13.754 1.00 0.00 H new ATOM 0 HD2 LYS A 123 0.842 -4.269 14.435 1.00 0.00 H new ATOM 0 HD3 LYS A 123 2.469 -4.150 15.075 1.00 0.00 H new ATOM 0 HE2 LYS A 123 1.743 -2.343 16.632 1.00 0.00 H new ATOM 0 HE3 LYS A 123 0.120 -2.412 15.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 0.299 -3.697 18.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -0.042 -4.721 16.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 1.530 -4.654 17.327 1.00 0.00 H new ATOM 1924 N ARG A 124 0.367 -1.621 10.268 1.00 0.00 N ATOM 1925 CA ARG A 124 -0.889 -0.975 9.923 1.00 0.00 C ATOM 1926 C ARG A 124 -2.012 -2.010 9.837 1.00 0.00 C ATOM 1927 O ARG A 124 -1.814 -3.105 9.314 1.00 0.00 O ATOM 1928 CB ARG A 124 -0.780 -0.238 8.587 1.00 0.00 C ATOM 1929 CG ARG A 124 -0.474 -1.212 7.448 1.00 0.00 C ATOM 1930 CD ARG A 124 0.140 -0.481 6.252 1.00 0.00 C ATOM 1931 NE ARG A 124 1.597 -0.319 6.451 1.00 0.00 N ATOM 1932 CZ ARG A 124 2.334 0.660 5.885 1.00 0.00 C ATOM 1933 NH1 ARG A 124 1.756 1.574 5.078 1.00 0.00 N ATOM 1934 NH2 ARG A 124 3.630 0.709 6.132 1.00 0.00 N ATOM 0 H ARG A 124 0.583 -2.454 9.721 1.00 0.00 H new ATOM 0 HA ARG A 124 -1.116 -0.252 10.706 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -1.712 0.288 8.380 1.00 0.00 H new ATOM 0 HB3 ARG A 124 0.005 0.516 8.646 1.00 0.00 H new ATOM 0 HG2 ARG A 124 0.212 -1.983 7.799 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -1.390 -1.716 7.140 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -0.050 -1.041 5.336 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -0.330 0.495 6.132 1.00 0.00 H new ATOM 0 HE ARG A 124 2.075 -0.989 7.054 1.00 0.00 H new ATOM 0 HH11 ARG A 124 0.754 1.529 4.891 1.00 0.00 H new ATOM 0 HH12 ARG A 124 2.321 2.310 4.655 1.00 0.00 H new ATOM 0 HH21 ARG A 124 4.059 0.014 6.742 1.00 0.00 H new ATOM 0 HH22 ARG A 124 4.202 1.442 5.712 1.00 0.00 H new ATOM 1947 N ILE A 125 -3.168 -1.627 10.361 1.00 0.00 N ATOM 1948 CA ILE A 125 -4.322 -2.509 10.350 1.00 0.00 C ATOM 1949 C ILE A 125 -5.437 -1.871 9.519 1.00 0.00 C ATOM 1950 O ILE A 125 -5.649 -0.661 9.580 1.00 0.00 O ATOM 1951 CB ILE A 125 -4.744 -2.857 11.779 1.00 0.00 C ATOM 1952 CG1 ILE A 125 -3.554 -3.372 12.592 1.00 0.00 C ATOM 1953 CG2 ILE A 125 -5.912 -3.846 11.782 1.00 0.00 C ATOM 1954 CD1 ILE A 125 -3.779 -3.157 14.090 1.00 0.00 C ATOM 0 H ILE A 125 -3.329 -0.718 10.795 1.00 0.00 H new ATOM 0 HA ILE A 125 -4.072 -3.458 9.876 1.00 0.00 H new ATOM 0 HB ILE A 125 -5.094 -1.945 12.263 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.404 -4.433 12.392 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -2.645 -2.857 12.280 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -6.191 -4.076 12.810 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -6.764 -3.405 11.265 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -5.614 -4.763 11.273 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.919 -3.532 14.645 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.904 -2.093 14.290 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -4.675 -3.693 14.404 1.00 0.00 H new ATOM 1966 N SER A 126 -6.122 -2.714 8.760 1.00 0.00 N ATOM 1967 CA SER A 126 -7.210 -2.248 7.917 1.00 0.00 C ATOM 1968 C SER A 126 -8.404 -3.198 8.031 1.00 0.00 C ATOM 1969 O SER A 126 -8.266 -4.319 8.518 1.00 0.00 O ATOM 1970 CB SER A 126 -6.764 -2.130 6.457 1.00 0.00 C ATOM 1971 OG SER A 126 -6.387 -0.798 6.121 1.00 0.00 O ATOM 0 H SER A 126 -5.945 -3.717 8.711 1.00 0.00 H new ATOM 0 HA SER A 126 -7.508 -1.257 8.260 1.00 0.00 H new ATOM 0 HB2 SER A 126 -5.923 -2.801 6.279 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.574 -2.454 5.803 1.00 0.00 H new ATOM 0 HG SER A 126 -6.107 -0.764 5.182 1.00 0.00 H new ATOM 1977 N LYS A 127 -9.550 -2.713 7.576 1.00 0.00 N ATOM 1978 CA LYS A 127 -10.768 -3.505 7.622 1.00 0.00 C ATOM 1979 C LYS A 127 -11.668 -3.116 6.446 1.00 0.00 C ATOM 1980 O LYS A 127 -11.723 -1.949 6.061 1.00 0.00 O ATOM 1981 CB LYS A 127 -11.446 -3.366 8.986 1.00 0.00 C ATOM 1982 CG LYS A 127 -12.573 -4.389 9.145 1.00 0.00 C ATOM 1983 CD LYS A 127 -13.146 -4.359 10.563 1.00 0.00 C ATOM 1984 CE LYS A 127 -14.281 -5.373 10.718 1.00 0.00 C ATOM 1985 NZ LYS A 127 -15.454 -4.743 11.362 1.00 0.00 N ATOM 0 H LYS A 127 -9.661 -1.782 7.174 1.00 0.00 H new ATOM 0 HA LYS A 127 -10.538 -4.565 7.512 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -10.710 -3.505 9.778 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -11.847 -2.358 9.096 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -13.364 -4.179 8.425 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -12.197 -5.387 8.922 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -12.357 -4.578 11.282 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -13.514 -3.358 10.789 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -14.562 -5.765 9.741 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -13.942 -6.219 11.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -16.215 -5.445 11.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -15.186 -4.390 12.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -15.787 -3.950 10.777 1.00 0.00 H new ATOM 1998 N ARG A 128 -12.350 -4.116 5.909 1.00 0.00 N ATOM 1999 CA ARG A 128 -13.245 -3.894 4.785 1.00 0.00 C ATOM 2000 C ARG A 128 -14.400 -2.981 5.200 1.00 0.00 C ATOM 2001 O ARG A 128 -15.383 -3.441 5.779 1.00 0.00 O ATOM 2002 CB ARG A 128 -13.811 -5.216 4.262 1.00 0.00 C ATOM 2003 CG ARG A 128 -14.583 -5.004 2.959 1.00 0.00 C ATOM 2004 CD ARG A 128 -15.338 -6.272 2.556 1.00 0.00 C ATOM 2005 NE ARG A 128 -16.301 -5.966 1.476 1.00 0.00 N ATOM 2006 CZ ARG A 128 -16.769 -6.879 0.599 1.00 0.00 C ATOM 2007 NH1 ARG A 128 -16.366 -8.165 0.667 1.00 0.00 N ATOM 2008 NH2 ARG A 128 -17.629 -6.494 -0.327 1.00 0.00 N ATOM 0 H ARG A 128 -12.301 -5.083 6.231 1.00 0.00 H new ATOM 0 HA ARG A 128 -12.669 -3.419 3.991 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -12.999 -5.924 4.097 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -14.469 -5.656 5.011 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -15.287 -4.180 3.079 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -13.892 -4.720 2.165 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -14.634 -7.034 2.221 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -15.864 -6.681 3.418 1.00 0.00 H new ATOM 0 HE ARG A 128 -16.632 -5.005 1.388 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -15.702 -8.454 1.386 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -16.725 -8.848 -0.000 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -17.929 -5.520 -0.371 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -17.993 -7.171 -0.998 1.00 0.00 H new ATOM 2021 N ILE A 129 -14.244 -1.703 4.886 1.00 0.00 N ATOM 2022 CA ILE A 129 -15.262 -0.721 5.218 1.00 0.00 C ATOM 2023 C ILE A 129 -15.422 -0.653 6.739 1.00 0.00 C ATOM 2024 O ILE A 129 -14.558 -0.121 7.434 1.00 0.00 O ATOM 2025 CB ILE A 129 -16.564 -1.027 4.476 1.00 0.00 C ATOM 2026 CG1 ILE A 129 -16.427 -0.724 2.982 1.00 0.00 C ATOM 2027 CG2 ILE A 129 -17.742 -0.283 5.107 1.00 0.00 C ATOM 2028 CD1 ILE A 129 -17.646 -1.230 2.207 1.00 0.00 C ATOM 0 H ILE A 129 -13.428 -1.325 4.405 1.00 0.00 H new ATOM 0 HA ILE A 129 -14.958 0.271 4.884 1.00 0.00 H new ATOM 0 HB ILE A 129 -16.770 -2.093 4.571 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -16.317 0.350 2.834 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -15.523 -1.194 2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -18.655 -0.518 4.561 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -17.852 -0.591 6.147 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -17.559 0.791 5.064 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -17.524 -1.002 1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -17.739 -2.308 2.338 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -18.545 -0.740 2.582 1.00 0.00 H new