USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 713 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 30 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 31 GLN :FLIP amide:sc= -0.242 F(o=-0.86,f=-0.24) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.827 K(o=-0.83,f=-4.5!) USER MOD Single : A 10 THR OG1 : rot -15:sc= 0.316 USER MOD Single : A 12 ASN : amide:sc= -1.59 K(o=-1.6,f=-4.5!) USER MOD Single : A 16 THR OG1 : rot -144:sc= -0.997 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.236 K(o=-0.24,f=-1!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -1.71 K(o=-1.7,f=-5.2!) USER MOD Single : A 34 HIS : no HD1:sc= -2.1 K(o=-2.1,f=-2.9!) USER MOD Single : A 35 LYS NZ :NH3+ 160:sc= -1.37 (180deg=-2.14!) USER MOD Single : A 36 TYR OH : rot 180:sc= -1.69 USER MOD Single : A 37 ASN : amide:sc= -0.67 K(o=-0.67,f=-3.3!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -45:sc= 0.374 USER MOD Single : A 48 LYS NZ :NH3+ -158:sc= -0.0194 (180deg=-0.198) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.198 USER MOD Single : A 51 HIS : no HD1:sc= -3.54 K(o=-3.5,f=-5!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000725) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 147:sc= -0.458 (180deg=-1.55!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0336 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 5.936 -19.325 -8.908 1.00 0.00 N ATOM 2 CA SER A 2 5.902 -20.453 -9.893 1.00 0.00 C ATOM 3 C SER A 2 4.694 -20.304 -10.826 1.00 0.00 C ATOM 4 O SER A 2 3.951 -19.344 -10.746 1.00 0.00 O ATOM 5 CB SER A 2 5.823 -21.789 -9.142 1.00 0.00 C ATOM 6 OG SER A 2 4.478 -22.057 -8.766 1.00 0.00 O ATOM 0 HA SER A 2 6.812 -20.430 -10.493 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.200 -22.593 -9.774 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.457 -21.756 -8.256 1.00 0.00 H new ATOM 0 HG SER A 2 4.436 -22.912 -8.289 1.00 0.00 H new ATOM 12 N LYS A 3 4.496 -21.251 -11.711 1.00 0.00 N ATOM 13 CA LYS A 3 3.340 -21.179 -12.658 1.00 0.00 C ATOM 14 C LYS A 3 3.450 -19.912 -13.511 1.00 0.00 C ATOM 15 O LYS A 3 3.159 -18.821 -13.056 1.00 0.00 O ATOM 16 CB LYS A 3 2.028 -21.151 -11.868 1.00 0.00 C ATOM 17 CG LYS A 3 0.850 -21.337 -12.827 1.00 0.00 C ATOM 18 CD LYS A 3 -0.263 -22.117 -12.124 1.00 0.00 C ATOM 19 CE LYS A 3 -1.079 -22.889 -13.161 1.00 0.00 C ATOM 20 NZ LYS A 3 -2.016 -21.958 -13.850 1.00 0.00 N ATOM 0 H LYS A 3 5.088 -22.074 -11.818 1.00 0.00 H new ATOM 0 HA LYS A 3 3.353 -22.054 -13.307 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.027 -21.940 -11.116 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.932 -20.204 -11.336 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.477 -20.366 -13.154 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.175 -21.871 -13.720 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.165 -22.806 -11.396 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.909 -21.433 -11.573 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.414 -23.357 -13.888 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.637 -23.691 -12.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.571 -22.483 -14.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.658 -21.532 -13.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.474 -21.208 -14.325 1.00 0.00 H new ATOM 34 N ARG A 4 3.868 -20.052 -14.743 1.00 0.00 N ATOM 35 CA ARG A 4 4.000 -18.863 -15.634 1.00 0.00 C ATOM 36 C ARG A 4 2.621 -18.243 -15.869 1.00 0.00 C ATOM 37 O ARG A 4 1.620 -18.933 -15.900 1.00 0.00 O ATOM 38 CB ARG A 4 4.600 -19.293 -16.974 1.00 0.00 C ATOM 39 CG ARG A 4 6.120 -19.124 -16.932 1.00 0.00 C ATOM 40 CD ARG A 4 6.649 -18.899 -18.351 1.00 0.00 C ATOM 41 NE ARG A 4 6.400 -20.122 -19.175 1.00 0.00 N ATOM 42 CZ ARG A 4 7.103 -21.223 -19.001 1.00 0.00 C ATOM 43 NH1 ARG A 4 8.054 -21.298 -18.098 1.00 0.00 N ATOM 44 NH2 ARG A 4 6.849 -22.265 -19.746 1.00 0.00 N ATOM 0 H ARG A 4 4.124 -20.942 -15.170 1.00 0.00 H new ATOM 0 HA ARG A 4 4.652 -18.128 -15.162 1.00 0.00 H new ATOM 0 HB2 ARG A 4 4.345 -20.332 -17.182 1.00 0.00 H new ATOM 0 HB3 ARG A 4 4.179 -18.694 -17.782 1.00 0.00 H new ATOM 0 HG2 ARG A 4 6.385 -18.280 -16.296 1.00 0.00 H new ATOM 0 HG3 ARG A 4 6.583 -20.009 -16.496 1.00 0.00 H new ATOM 0 HD2 ARG A 4 6.157 -18.037 -18.802 1.00 0.00 H new ATOM 0 HD3 ARG A 4 7.716 -18.678 -18.322 1.00 0.00 H new ATOM 0 HE ARG A 4 5.670 -20.104 -19.887 1.00 0.00 H new ATOM 0 HH11 ARG A 4 8.264 -20.491 -17.510 1.00 0.00 H new ATOM 0 HH12 ARG A 4 8.583 -22.163 -17.985 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.114 -22.220 -20.452 1.00 0.00 H new ATOM 0 HH22 ARG A 4 7.385 -23.124 -19.622 1.00 0.00 H new ATOM 58 N LYS A 5 2.564 -16.944 -16.033 1.00 0.00 N ATOM 59 CA LYS A 5 1.253 -16.263 -16.268 1.00 0.00 C ATOM 60 C LYS A 5 0.321 -16.512 -15.078 1.00 0.00 C ATOM 61 O LYS A 5 -0.481 -17.426 -15.089 1.00 0.00 O ATOM 62 CB LYS A 5 0.608 -16.812 -17.544 1.00 0.00 C ATOM 63 CG LYS A 5 -0.212 -15.709 -18.217 1.00 0.00 C ATOM 64 CD LYS A 5 0.690 -14.894 -19.145 1.00 0.00 C ATOM 65 CE LYS A 5 -0.138 -14.338 -20.304 1.00 0.00 C ATOM 66 NZ LYS A 5 -0.102 -15.296 -21.445 1.00 0.00 N ATOM 0 H LYS A 5 3.373 -16.323 -16.014 1.00 0.00 H new ATOM 0 HA LYS A 5 1.421 -15.192 -16.379 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.377 -17.175 -18.226 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -0.032 -17.661 -17.304 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.033 -16.147 -18.784 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.656 -15.060 -17.462 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.155 -14.078 -18.592 1.00 0.00 H new ATOM 0 HD3 LYS A 5 1.496 -15.520 -19.528 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.167 -14.175 -19.984 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.256 -13.370 -20.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.665 -14.918 -22.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.882 -15.430 -21.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.497 -16.210 -21.144 1.00 0.00 H new ATOM 80 N ALA A 6 0.425 -15.702 -14.055 1.00 0.00 N ATOM 81 CA ALA A 6 -0.451 -15.882 -12.859 1.00 0.00 C ATOM 82 C ALA A 6 -1.741 -15.067 -13.042 1.00 0.00 C ATOM 83 O ALA A 6 -1.782 -14.169 -13.858 1.00 0.00 O ATOM 84 CB ALA A 6 0.287 -15.396 -11.610 1.00 0.00 C ATOM 0 H ALA A 6 1.080 -14.922 -13.997 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.701 -16.937 -12.746 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.351 -15.527 -10.736 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.202 -15.973 -11.480 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.537 -14.341 -11.722 1.00 0.00 H new ATOM 90 N PRO A 7 -2.766 -15.400 -12.279 1.00 0.00 N ATOM 91 CA PRO A 7 -4.091 -14.708 -12.332 1.00 0.00 C ATOM 92 C PRO A 7 -4.094 -13.482 -11.415 1.00 0.00 C ATOM 93 O PRO A 7 -4.984 -13.305 -10.605 1.00 0.00 O ATOM 94 CB PRO A 7 -5.059 -15.769 -11.823 1.00 0.00 C ATOM 95 CG PRO A 7 -4.259 -16.734 -10.962 1.00 0.00 C ATOM 96 CD PRO A 7 -2.774 -16.503 -11.252 1.00 0.00 C ATOM 0 HA PRO A 7 -4.346 -14.340 -13.326 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.861 -15.311 -11.244 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.527 -16.294 -12.656 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -4.472 -16.569 -9.906 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -4.536 -17.764 -11.186 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -2.233 -16.213 -10.352 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.297 -17.406 -11.633 1.00 0.00 H new ATOM 104 N GLN A 8 -3.102 -12.636 -11.541 1.00 0.00 N ATOM 105 CA GLN A 8 -3.038 -11.418 -10.682 1.00 0.00 C ATOM 106 C GLN A 8 -3.776 -10.267 -11.372 1.00 0.00 C ATOM 107 O GLN A 8 -3.964 -10.274 -12.574 1.00 0.00 O ATOM 108 CB GLN A 8 -1.575 -11.026 -10.462 1.00 0.00 C ATOM 109 CG GLN A 8 -1.416 -10.402 -9.074 1.00 0.00 C ATOM 110 CD GLN A 8 -1.465 -11.501 -8.010 1.00 0.00 C ATOM 111 OE1 GLN A 8 -2.048 -12.545 -8.226 1.00 0.00 O ATOM 112 NE2 GLN A 8 -0.874 -11.308 -6.863 1.00 0.00 N ATOM 0 H GLN A 8 -2.333 -12.738 -12.204 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.508 -11.626 -9.721 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.935 -11.903 -10.553 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.258 -10.319 -11.229 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.470 -9.863 -9.012 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.209 -9.675 -8.898 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.385 -10.431 -6.682 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.901 -12.034 -6.147 1.00 0.00 H new ATOM 121 N GLU A 9 -4.193 -9.282 -10.618 1.00 0.00 N ATOM 122 CA GLU A 9 -4.919 -8.127 -11.221 1.00 0.00 C ATOM 123 C GLU A 9 -3.952 -6.957 -11.411 1.00 0.00 C ATOM 124 O GLU A 9 -2.820 -6.998 -10.968 1.00 0.00 O ATOM 125 CB GLU A 9 -6.059 -7.701 -10.292 1.00 0.00 C ATOM 126 CG GLU A 9 -6.996 -8.888 -10.055 1.00 0.00 C ATOM 127 CD GLU A 9 -8.432 -8.384 -9.906 1.00 0.00 C ATOM 128 OE1 GLU A 9 -9.031 -8.052 -10.916 1.00 0.00 O ATOM 129 OE2 GLU A 9 -8.910 -8.338 -8.784 1.00 0.00 O ATOM 0 H GLU A 9 -4.061 -9.229 -9.608 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.327 -8.420 -12.188 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.656 -7.347 -9.343 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.611 -6.871 -10.733 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.930 -9.589 -10.887 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.695 -9.429 -9.158 1.00 0.00 H new ATOM 136 N THR A 10 -4.393 -5.916 -12.071 1.00 0.00 N ATOM 137 CA THR A 10 -3.507 -4.735 -12.299 1.00 0.00 C ATOM 138 C THR A 10 -4.097 -3.484 -11.631 1.00 0.00 C ATOM 139 O THR A 10 -3.439 -2.466 -11.529 1.00 0.00 O ATOM 140 CB THR A 10 -3.373 -4.488 -13.804 1.00 0.00 C ATOM 141 OG1 THR A 10 -2.629 -3.297 -14.022 1.00 0.00 O ATOM 142 CG2 THR A 10 -4.762 -4.347 -14.426 1.00 0.00 C ATOM 0 H THR A 10 -5.331 -5.833 -12.463 1.00 0.00 H new ATOM 0 HA THR A 10 -2.529 -4.939 -11.864 1.00 0.00 H new ATOM 0 HB THR A 10 -2.856 -5.329 -14.266 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.579 -2.785 -13.188 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.665 -4.171 -15.497 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.330 -5.262 -14.259 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.283 -3.507 -13.966 1.00 0.00 H new ATOM 150 N LEU A 11 -5.332 -3.541 -11.178 1.00 0.00 N ATOM 151 CA LEU A 11 -5.963 -2.342 -10.524 1.00 0.00 C ATOM 152 C LEU A 11 -5.049 -1.781 -9.417 1.00 0.00 C ATOM 153 O LEU A 11 -4.494 -0.708 -9.559 1.00 0.00 O ATOM 154 CB LEU A 11 -7.347 -2.692 -9.930 1.00 0.00 C ATOM 155 CG LEU A 11 -7.382 -4.132 -9.374 1.00 0.00 C ATOM 156 CD1 LEU A 11 -7.930 -4.125 -7.944 1.00 0.00 C ATOM 157 CD2 LEU A 11 -8.288 -5.002 -10.253 1.00 0.00 C ATOM 0 H LEU A 11 -5.930 -4.365 -11.233 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.098 -1.582 -11.294 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.590 -1.988 -9.134 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.112 -2.580 -10.699 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.370 -4.536 -9.374 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.952 -5.144 -7.558 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.289 -3.511 -7.312 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.940 -3.715 -7.943 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.311 -6.018 -9.858 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.297 -4.590 -10.255 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.901 -5.017 -11.272 1.00 0.00 H new ATOM 169 N ASN A 12 -4.891 -2.489 -8.325 1.00 0.00 N ATOM 170 CA ASN A 12 -4.017 -1.986 -7.223 1.00 0.00 C ATOM 171 C ASN A 12 -2.748 -2.838 -7.149 1.00 0.00 C ATOM 172 O ASN A 12 -2.230 -3.103 -6.079 1.00 0.00 O ATOM 173 CB ASN A 12 -4.769 -2.074 -5.894 1.00 0.00 C ATOM 174 CG ASN A 12 -6.109 -1.347 -6.016 1.00 0.00 C ATOM 175 OD1 ASN A 12 -6.222 -0.372 -6.734 1.00 0.00 O ATOM 176 ND2 ASN A 12 -7.137 -1.781 -5.340 1.00 0.00 N ATOM 0 H ASN A 12 -5.330 -3.393 -8.151 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.747 -0.948 -7.419 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -4.933 -3.118 -5.625 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.173 -1.629 -5.097 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -8.035 -1.303 -5.414 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -7.043 -2.599 -4.738 1.00 0.00 H new ATOM 183 N GLY A 13 -2.247 -3.269 -8.278 1.00 0.00 N ATOM 184 CA GLY A 13 -1.011 -4.107 -8.285 1.00 0.00 C ATOM 185 C GLY A 13 0.242 -3.224 -8.387 1.00 0.00 C ATOM 186 O GLY A 13 1.353 -3.717 -8.322 1.00 0.00 O ATOM 0 H GLY A 13 -2.642 -3.076 -9.198 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.967 -4.706 -7.376 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.042 -4.802 -9.124 1.00 0.00 H new ATOM 190 N GLY A 14 0.084 -1.927 -8.540 1.00 0.00 N ATOM 191 CA GLY A 14 1.273 -1.033 -8.637 1.00 0.00 C ATOM 192 C GLY A 14 1.642 -0.548 -7.239 1.00 0.00 C ATOM 193 O GLY A 14 2.803 -0.392 -6.907 1.00 0.00 O ATOM 0 H GLY A 14 -0.818 -1.455 -8.601 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.111 -1.568 -9.084 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.055 -0.184 -9.285 1.00 0.00 H new ATOM 197 N ILE A 15 0.653 -0.310 -6.421 1.00 0.00 N ATOM 198 CA ILE A 15 0.915 0.167 -5.033 1.00 0.00 C ATOM 199 C ILE A 15 1.581 -0.953 -4.236 1.00 0.00 C ATOM 200 O ILE A 15 2.573 -0.743 -3.563 1.00 0.00 O ATOM 201 CB ILE A 15 -0.407 0.546 -4.357 1.00 0.00 C ATOM 202 CG1 ILE A 15 -1.246 1.432 -5.293 1.00 0.00 C ATOM 203 CG2 ILE A 15 -0.108 1.308 -3.068 1.00 0.00 C ATOM 204 CD1 ILE A 15 -2.379 0.603 -5.900 1.00 0.00 C ATOM 0 H ILE A 15 -0.333 -0.426 -6.657 1.00 0.00 H new ATOM 0 HA ILE A 15 1.567 1.040 -5.068 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.969 -0.361 -4.132 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.656 2.278 -4.740 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.617 1.842 -6.083 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.044 1.581 -2.581 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.478 0.677 -2.400 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.456 2.211 -3.302 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.974 1.231 -6.563 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.959 -0.228 -6.467 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.013 0.215 -5.103 1.00 0.00 H new ATOM 216 N THR A 16 1.038 -2.143 -4.306 1.00 0.00 N ATOM 217 CA THR A 16 1.628 -3.289 -3.552 1.00 0.00 C ATOM 218 C THR A 16 3.066 -3.529 -4.017 1.00 0.00 C ATOM 219 O THR A 16 3.903 -3.984 -3.259 1.00 0.00 O ATOM 220 CB THR A 16 0.793 -4.550 -3.796 1.00 0.00 C ATOM 221 OG1 THR A 16 1.432 -5.660 -3.182 1.00 0.00 O ATOM 222 CG2 THR A 16 0.660 -4.806 -5.300 1.00 0.00 C ATOM 0 H THR A 16 0.209 -2.370 -4.855 1.00 0.00 H new ATOM 0 HA THR A 16 1.628 -3.055 -2.487 1.00 0.00 H new ATOM 0 HB THR A 16 -0.200 -4.413 -3.369 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.305 -6.458 -3.736 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.065 -5.704 -5.465 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.170 -3.954 -5.772 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.650 -4.942 -5.735 1.00 0.00 H new ATOM 230 N ASP A 17 3.360 -3.219 -5.256 1.00 0.00 N ATOM 231 CA ASP A 17 4.746 -3.420 -5.773 1.00 0.00 C ATOM 232 C ASP A 17 5.707 -2.521 -4.994 1.00 0.00 C ATOM 233 O ASP A 17 6.850 -2.868 -4.765 1.00 0.00 O ATOM 234 CB ASP A 17 4.794 -3.054 -7.259 1.00 0.00 C ATOM 235 CG ASP A 17 6.074 -3.617 -7.881 1.00 0.00 C ATOM 236 OD1 ASP A 17 6.079 -4.789 -8.219 1.00 0.00 O ATOM 237 OD2 ASP A 17 7.026 -2.865 -8.010 1.00 0.00 O ATOM 0 H ASP A 17 2.698 -2.835 -5.931 1.00 0.00 H new ATOM 0 HA ASP A 17 5.037 -4.463 -5.648 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.920 -3.456 -7.772 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.764 -1.971 -7.379 1.00 0.00 H new ATOM 242 N MET A 18 5.243 -1.370 -4.579 1.00 0.00 N ATOM 243 CA MET A 18 6.112 -0.437 -3.804 1.00 0.00 C ATOM 244 C MET A 18 5.987 -0.724 -2.300 1.00 0.00 C ATOM 245 O MET A 18 6.794 -0.268 -1.512 1.00 0.00 O ATOM 246 CB MET A 18 5.682 1.005 -4.083 1.00 0.00 C ATOM 247 CG MET A 18 6.433 1.535 -5.306 1.00 0.00 C ATOM 248 SD MET A 18 5.852 0.674 -6.790 1.00 0.00 S ATOM 249 CE MET A 18 7.023 1.413 -7.954 1.00 0.00 C ATOM 0 H MET A 18 4.294 -1.036 -4.745 1.00 0.00 H new ATOM 0 HA MET A 18 7.149 -0.580 -4.108 1.00 0.00 H new ATOM 0 HB2 MET A 18 4.607 1.048 -4.257 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.890 1.632 -3.216 1.00 0.00 H new ATOM 0 HG2 MET A 18 6.272 2.608 -5.408 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.505 1.384 -5.181 1.00 0.00 H new ATOM 0 HE1 MET A 18 6.842 1.016 -8.953 1.00 0.00 H new ATOM 0 HE2 MET A 18 6.892 2.495 -7.964 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.041 1.173 -7.647 1.00 0.00 H new ATOM 259 N LEU A 19 4.992 -1.482 -1.895 1.00 0.00 N ATOM 260 CA LEU A 19 4.828 -1.799 -0.448 1.00 0.00 C ATOM 261 C LEU A 19 5.627 -3.059 -0.136 1.00 0.00 C ATOM 262 O LEU A 19 6.196 -3.204 0.929 1.00 0.00 O ATOM 263 CB LEU A 19 3.348 -2.047 -0.141 1.00 0.00 C ATOM 264 CG LEU A 19 2.607 -0.708 -0.018 1.00 0.00 C ATOM 265 CD1 LEU A 19 1.260 -0.795 -0.741 1.00 0.00 C ATOM 266 CD2 LEU A 19 2.361 -0.390 1.459 1.00 0.00 C ATOM 0 H LEU A 19 4.289 -1.892 -2.509 1.00 0.00 H new ATOM 0 HA LEU A 19 5.184 -0.967 0.159 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.900 -2.649 -0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.250 -2.613 0.785 1.00 0.00 H new ATOM 0 HG LEU A 19 3.214 0.078 -0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.737 0.157 -0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.426 -1.020 -1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.657 -1.584 -0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.835 0.561 1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.757 -1.180 1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.316 -0.324 1.981 1.00 0.00 H new ATOM 278 N VAL A 20 5.673 -3.967 -1.073 1.00 0.00 N ATOM 279 CA VAL A 20 6.430 -5.229 -0.870 1.00 0.00 C ATOM 280 C VAL A 20 7.919 -4.962 -1.101 1.00 0.00 C ATOM 281 O VAL A 20 8.772 -5.581 -0.492 1.00 0.00 O ATOM 282 CB VAL A 20 5.930 -6.273 -1.870 1.00 0.00 C ATOM 283 CG1 VAL A 20 6.623 -7.606 -1.607 1.00 0.00 C ATOM 284 CG2 VAL A 20 4.418 -6.447 -1.711 1.00 0.00 C ATOM 0 H VAL A 20 5.212 -3.884 -1.979 1.00 0.00 H new ATOM 0 HA VAL A 20 6.283 -5.597 0.145 1.00 0.00 H new ATOM 0 HB VAL A 20 6.155 -5.941 -2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.266 -8.349 -2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.700 -7.484 -1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.399 -7.939 -0.594 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.060 -7.191 -2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.195 -6.779 -0.697 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.920 -5.496 -1.899 1.00 0.00 H new ATOM 294 N GLU A 21 8.233 -4.045 -1.980 1.00 0.00 N ATOM 295 CA GLU A 21 9.662 -3.727 -2.263 1.00 0.00 C ATOM 296 C GLU A 21 10.279 -3.014 -1.058 1.00 0.00 C ATOM 297 O GLU A 21 11.244 -3.482 -0.478 1.00 0.00 O ATOM 298 CB GLU A 21 9.749 -2.819 -3.492 1.00 0.00 C ATOM 299 CG GLU A 21 11.177 -2.840 -4.043 1.00 0.00 C ATOM 300 CD GLU A 21 11.311 -1.796 -5.153 1.00 0.00 C ATOM 301 OE1 GLU A 21 10.704 -1.986 -6.195 1.00 0.00 O ATOM 302 OE2 GLU A 21 12.017 -0.824 -4.942 1.00 0.00 O ATOM 0 H GLU A 21 7.556 -3.501 -2.516 1.00 0.00 H new ATOM 0 HA GLU A 21 10.207 -4.652 -2.454 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.048 -3.155 -4.256 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.466 -1.801 -3.226 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.889 -2.631 -3.245 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.414 -3.831 -4.431 1.00 0.00 H new ATOM 309 N LEU A 22 9.732 -1.885 -0.674 1.00 0.00 N ATOM 310 CA LEU A 22 10.296 -1.148 0.493 1.00 0.00 C ATOM 311 C LEU A 22 10.158 -2.015 1.752 1.00 0.00 C ATOM 312 O LEU A 22 11.005 -1.998 2.622 1.00 0.00 O ATOM 313 CB LEU A 22 9.567 0.206 0.667 1.00 0.00 C ATOM 314 CG LEU A 22 8.161 0.017 1.262 1.00 0.00 C ATOM 315 CD1 LEU A 22 8.250 -0.007 2.795 1.00 0.00 C ATOM 316 CD2 LEU A 22 7.261 1.175 0.827 1.00 0.00 C ATOM 0 H LEU A 22 8.924 -1.447 -1.117 1.00 0.00 H new ATOM 0 HA LEU A 22 11.353 -0.941 0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.154 0.855 1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.490 0.706 -0.299 1.00 0.00 H new ATOM 0 HG LEU A 22 7.743 -0.925 0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.253 -0.141 3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.890 -0.831 3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.670 0.934 3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.265 1.040 1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.681 2.116 1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.194 1.195 -0.261 1.00 0.00 H new ATOM 328 N ALA A 23 9.089 -2.776 1.847 1.00 0.00 N ATOM 329 CA ALA A 23 8.875 -3.651 3.044 1.00 0.00 C ATOM 330 C ALA A 23 10.121 -4.507 3.289 1.00 0.00 C ATOM 331 O ALA A 23 10.565 -4.665 4.411 1.00 0.00 O ATOM 332 CB ALA A 23 7.671 -4.564 2.799 1.00 0.00 C ATOM 0 H ALA A 23 8.353 -2.827 1.142 1.00 0.00 H new ATOM 0 HA ALA A 23 8.689 -3.026 3.918 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.514 -5.201 3.669 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.782 -3.956 2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.858 -5.186 1.923 1.00 0.00 H new ATOM 338 N ASN A 24 10.698 -5.038 2.240 1.00 0.00 N ATOM 339 CA ASN A 24 11.932 -5.860 2.397 1.00 0.00 C ATOM 340 C ASN A 24 13.048 -4.949 2.908 1.00 0.00 C ATOM 341 O ASN A 24 13.884 -5.353 3.693 1.00 0.00 O ATOM 342 CB ASN A 24 12.328 -6.456 1.044 1.00 0.00 C ATOM 343 CG ASN A 24 11.815 -7.895 0.947 1.00 0.00 C ATOM 344 OD1 ASN A 24 11.883 -8.642 1.903 1.00 0.00 O ATOM 345 ND2 ASN A 24 11.299 -8.316 -0.175 1.00 0.00 N ATOM 0 H ASN A 24 10.365 -4.936 1.281 1.00 0.00 H new ATOM 0 HA ASN A 24 11.759 -6.674 3.101 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.912 -5.856 0.235 1.00 0.00 H new ATOM 0 HB3 ASN A 24 13.412 -6.437 0.930 1.00 0.00 H new ATOM 0 HD21 ASN A 24 10.953 -9.272 -0.250 1.00 0.00 H new ATOM 0 HD22 ASN A 24 11.242 -7.689 -0.977 1.00 0.00 H new ATOM 352 N PHE A 25 13.051 -3.716 2.470 1.00 0.00 N ATOM 353 CA PHE A 25 14.094 -2.750 2.925 1.00 0.00 C ATOM 354 C PHE A 25 13.951 -2.512 4.428 1.00 0.00 C ATOM 355 O PHE A 25 14.911 -2.190 5.100 1.00 0.00 O ATOM 356 CB PHE A 25 13.914 -1.426 2.179 1.00 0.00 C ATOM 357 CG PHE A 25 15.061 -0.500 2.503 1.00 0.00 C ATOM 358 CD1 PHE A 25 16.287 -0.649 1.846 1.00 0.00 C ATOM 359 CD2 PHE A 25 14.896 0.508 3.460 1.00 0.00 C ATOM 360 CE1 PHE A 25 17.351 0.210 2.146 1.00 0.00 C ATOM 361 CE2 PHE A 25 15.960 1.367 3.761 1.00 0.00 C ATOM 362 CZ PHE A 25 17.188 1.218 3.104 1.00 0.00 C ATOM 0 H PHE A 25 12.371 -3.335 1.812 1.00 0.00 H new ATOM 0 HA PHE A 25 15.084 -3.157 2.717 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.871 -1.606 1.105 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.969 -0.963 2.463 1.00 0.00 H new ATOM 0 HD1 PHE A 25 16.413 -1.427 1.107 1.00 0.00 H new ATOM 0 HD2 PHE A 25 13.949 0.623 3.966 1.00 0.00 H new ATOM 0 HE1 PHE A 25 18.297 0.095 1.639 1.00 0.00 H new ATOM 0 HE2 PHE A 25 15.834 2.145 4.500 1.00 0.00 H new ATOM 0 HZ PHE A 25 18.009 1.880 3.336 1.00 0.00 H new ATOM 372 N GLU A 26 12.765 -2.666 4.961 1.00 0.00 N ATOM 373 CA GLU A 26 12.571 -2.445 6.424 1.00 0.00 C ATOM 374 C GLU A 26 13.070 -3.672 7.191 1.00 0.00 C ATOM 375 O GLU A 26 13.910 -3.568 8.063 1.00 0.00 O ATOM 376 CB GLU A 26 11.085 -2.213 6.734 1.00 0.00 C ATOM 377 CG GLU A 26 10.479 -1.202 5.746 1.00 0.00 C ATOM 378 CD GLU A 26 11.256 0.125 5.779 1.00 0.00 C ATOM 379 OE1 GLU A 26 11.992 0.343 6.729 1.00 0.00 O ATOM 380 OE2 GLU A 26 11.098 0.900 4.850 1.00 0.00 O ATOM 0 H GLU A 26 11.926 -2.934 4.447 1.00 0.00 H new ATOM 0 HA GLU A 26 13.135 -1.564 6.730 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.544 -3.157 6.675 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.974 -1.845 7.754 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.499 -1.615 4.738 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.433 -1.023 5.997 1.00 0.00 H new ATOM 387 N LYS A 27 12.559 -4.834 6.868 1.00 0.00 N ATOM 388 CA LYS A 27 13.004 -6.073 7.573 1.00 0.00 C ATOM 389 C LYS A 27 14.489 -6.312 7.287 1.00 0.00 C ATOM 390 O LYS A 27 15.256 -6.633 8.176 1.00 0.00 O ATOM 391 CB LYS A 27 12.190 -7.269 7.076 1.00 0.00 C ATOM 392 CG LYS A 27 12.547 -8.512 7.897 1.00 0.00 C ATOM 393 CD LYS A 27 12.574 -9.742 6.987 1.00 0.00 C ATOM 394 CE LYS A 27 11.158 -10.047 6.497 1.00 0.00 C ATOM 395 NZ LYS A 27 11.176 -11.277 5.656 1.00 0.00 N ATOM 0 H LYS A 27 11.853 -4.977 6.146 1.00 0.00 H new ATOM 0 HA LYS A 27 12.852 -5.955 8.646 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.124 -7.057 7.163 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.395 -7.447 6.020 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.519 -8.379 8.373 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.818 -8.654 8.695 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.234 -9.564 6.138 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.975 -10.599 7.528 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.490 -10.185 7.347 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.772 -9.206 5.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.213 -11.484 5.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.801 -11.129 4.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.527 -12.078 6.219 1.00 0.00 H new ATOM 409 N ASN A 28 14.901 -6.148 6.052 1.00 0.00 N ATOM 410 CA ASN A 28 16.341 -6.353 5.700 1.00 0.00 C ATOM 411 C ASN A 28 17.216 -5.410 6.536 1.00 0.00 C ATOM 412 O ASN A 28 18.379 -5.678 6.772 1.00 0.00 O ATOM 413 CB ASN A 28 16.552 -6.058 4.214 1.00 0.00 C ATOM 414 CG ASN A 28 15.916 -7.169 3.376 1.00 0.00 C ATOM 415 OD1 ASN A 28 14.860 -7.669 3.711 1.00 0.00 O ATOM 416 ND2 ASN A 28 16.517 -7.579 2.293 1.00 0.00 N ATOM 0 H ASN A 28 14.301 -5.881 5.272 1.00 0.00 H new ATOM 0 HA ASN A 28 16.619 -7.386 5.909 1.00 0.00 H new ATOM 0 HB2 ASN A 28 16.109 -5.096 3.957 1.00 0.00 H new ATOM 0 HB3 ASN A 28 17.617 -5.987 3.994 1.00 0.00 H new ATOM 0 HD21 ASN A 28 16.101 -8.319 1.728 1.00 0.00 H new ATOM 0 HD22 ASN A 28 17.403 -7.160 2.012 1.00 0.00 H new ATOM 423 N VAL A 29 16.657 -4.316 6.991 1.00 0.00 N ATOM 424 CA VAL A 29 17.437 -3.357 7.820 1.00 0.00 C ATOM 425 C VAL A 29 17.293 -3.769 9.293 1.00 0.00 C ATOM 426 O VAL A 29 16.448 -4.575 9.640 1.00 0.00 O ATOM 427 CB VAL A 29 16.893 -1.936 7.573 1.00 0.00 C ATOM 428 CG1 VAL A 29 17.447 -0.945 8.607 1.00 0.00 C ATOM 429 CG2 VAL A 29 17.319 -1.479 6.176 1.00 0.00 C ATOM 0 H VAL A 29 15.688 -4.048 6.821 1.00 0.00 H new ATOM 0 HA VAL A 29 18.495 -3.367 7.557 1.00 0.00 H new ATOM 0 HB VAL A 29 15.807 -1.960 7.660 1.00 0.00 H new ATOM 0 HG11 VAL A 29 17.047 0.049 8.409 1.00 0.00 H new ATOM 0 HG12 VAL A 29 17.153 -1.261 9.608 1.00 0.00 H new ATOM 0 HG13 VAL A 29 18.535 -0.918 8.539 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.939 -0.474 5.990 1.00 0.00 H new ATOM 0 HG22 VAL A 29 18.407 -1.474 6.111 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.914 -2.163 5.430 1.00 0.00 H new ATOM 439 N SER A 30 18.131 -3.247 10.150 1.00 0.00 N ATOM 440 CA SER A 30 18.073 -3.625 11.594 1.00 0.00 C ATOM 441 C SER A 30 16.911 -2.924 12.305 1.00 0.00 C ATOM 442 O SER A 30 15.948 -3.554 12.700 1.00 0.00 O ATOM 443 CB SER A 30 19.387 -3.230 12.265 1.00 0.00 C ATOM 444 OG SER A 30 19.349 -3.610 13.634 1.00 0.00 O ATOM 0 H SER A 30 18.857 -2.572 9.911 1.00 0.00 H new ATOM 0 HA SER A 30 17.917 -4.701 11.664 1.00 0.00 H new ATOM 0 HB2 SER A 30 20.225 -3.716 11.764 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.544 -2.155 12.179 1.00 0.00 H new ATOM 0 HG SER A 30 20.192 -3.359 14.067 1.00 0.00 H new ATOM 450 N GLN A 31 17.007 -1.633 12.498 1.00 0.00 N ATOM 451 CA GLN A 31 15.924 -0.895 13.217 1.00 0.00 C ATOM 452 C GLN A 31 14.805 -0.488 12.247 1.00 0.00 C ATOM 453 O GLN A 31 14.561 0.684 12.025 1.00 0.00 O ATOM 454 CB GLN A 31 16.518 0.356 13.872 1.00 0.00 C ATOM 455 CG GLN A 31 17.630 -0.054 14.841 1.00 0.00 C ATOM 456 CD GLN A 31 17.019 -0.778 16.042 1.00 0.00 C ATOM 457 OE1 GLN A 31 16.779 -2.058 15.965 1.00 0.00 O flip ATOM 458 NE2 GLN A 31 16.757 -0.172 17.062 1.00 0.00 N flip ATOM 0 H GLN A 31 17.790 -1.057 12.188 1.00 0.00 H new ATOM 0 HA GLN A 31 15.498 -1.548 13.978 1.00 0.00 H new ATOM 0 HB2 GLN A 31 16.915 1.026 13.109 1.00 0.00 H new ATOM 0 HB3 GLN A 31 15.741 0.904 14.404 1.00 0.00 H new ATOM 0 HG2 GLN A 31 18.345 -0.704 14.337 1.00 0.00 H new ATOM 0 HG3 GLN A 31 18.179 0.826 15.175 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.944 0.829 17.123 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.350 -0.664 17.857 1.00 0.00 H new ATOM 467 N ALA A 32 14.113 -1.447 11.683 1.00 0.00 N ATOM 468 CA ALA A 32 12.999 -1.114 10.747 1.00 0.00 C ATOM 469 C ALA A 32 11.939 -2.218 10.794 1.00 0.00 C ATOM 470 O ALA A 32 11.427 -2.645 9.775 1.00 0.00 O ATOM 471 CB ALA A 32 13.542 -0.975 9.326 1.00 0.00 C ATOM 0 H ALA A 32 14.272 -2.444 11.831 1.00 0.00 H new ATOM 0 HA ALA A 32 12.546 -0.170 11.049 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.725 -0.732 8.646 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.287 -0.180 9.297 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.002 -1.914 9.019 1.00 0.00 H new ATOM 477 N ILE A 33 11.604 -2.679 11.971 1.00 0.00 N ATOM 478 CA ILE A 33 10.575 -3.752 12.097 1.00 0.00 C ATOM 479 C ILE A 33 9.194 -3.113 12.354 1.00 0.00 C ATOM 480 O ILE A 33 8.173 -3.707 12.074 1.00 0.00 O ATOM 481 CB ILE A 33 11.019 -4.737 13.224 1.00 0.00 C ATOM 482 CG1 ILE A 33 11.145 -6.155 12.645 1.00 0.00 C ATOM 483 CG2 ILE A 33 10.041 -4.771 14.412 1.00 0.00 C ATOM 484 CD1 ILE A 33 12.172 -6.168 11.508 1.00 0.00 C ATOM 0 H ILE A 33 12.001 -2.357 12.854 1.00 0.00 H new ATOM 0 HA ILE A 33 10.484 -4.328 11.176 1.00 0.00 H new ATOM 0 HB ILE A 33 11.978 -4.378 13.598 1.00 0.00 H new ATOM 0 HG12 ILE A 33 11.448 -6.851 13.428 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.177 -6.493 12.275 1.00 0.00 H new ATOM 0 HG21 ILE A 33 10.404 -5.474 15.162 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.968 -3.776 14.852 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.057 -5.087 14.065 1.00 0.00 H new ATOM 0 HD11 ILE A 33 12.255 -7.177 11.104 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.851 -5.487 10.720 1.00 0.00 H new ATOM 0 HD13 ILE A 33 13.142 -5.850 11.890 1.00 0.00 H new ATOM 496 N HIS A 34 9.163 -1.913 12.876 1.00 0.00 N ATOM 497 CA HIS A 34 7.847 -1.237 13.136 1.00 0.00 C ATOM 498 C HIS A 34 7.219 -0.848 11.796 1.00 0.00 C ATOM 499 O HIS A 34 6.078 -1.177 11.515 1.00 0.00 O ATOM 500 CB HIS A 34 8.015 0.024 14.017 1.00 0.00 C ATOM 501 CG HIS A 34 9.303 0.749 13.706 1.00 0.00 C ATOM 502 ND1 HIS A 34 10.495 0.424 14.336 1.00 0.00 N ATOM 503 CD2 HIS A 34 9.607 1.764 12.831 1.00 0.00 C ATOM 504 CE1 HIS A 34 11.450 1.225 13.835 1.00 0.00 C ATOM 505 NE2 HIS A 34 10.964 2.062 12.916 1.00 0.00 N ATOM 0 H HIS A 34 9.987 -1.370 13.134 1.00 0.00 H new ATOM 0 HA HIS A 34 7.202 -1.932 13.674 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.171 0.695 13.858 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.002 -0.261 15.069 1.00 0.00 H new ATOM 0 HD2 HIS A 34 8.901 2.255 12.178 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.486 1.195 14.139 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.477 2.769 12.389 1.00 0.00 H new ATOM 513 N LYS A 35 7.960 -0.168 10.960 1.00 0.00 N ATOM 514 CA LYS A 35 7.419 0.229 9.628 1.00 0.00 C ATOM 515 C LYS A 35 7.279 -1.020 8.753 1.00 0.00 C ATOM 516 O LYS A 35 6.463 -1.067 7.853 1.00 0.00 O ATOM 517 CB LYS A 35 8.363 1.233 8.956 1.00 0.00 C ATOM 518 CG LYS A 35 9.807 0.706 8.979 1.00 0.00 C ATOM 519 CD LYS A 35 10.726 1.736 9.644 1.00 0.00 C ATOM 520 CE LYS A 35 11.154 2.784 8.615 1.00 0.00 C ATOM 521 NZ LYS A 35 9.960 3.551 8.161 1.00 0.00 N ATOM 0 H LYS A 35 8.918 0.130 11.144 1.00 0.00 H new ATOM 0 HA LYS A 35 6.444 0.698 9.756 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.048 1.406 7.927 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.311 2.192 9.471 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.851 -0.238 9.522 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.146 0.505 7.963 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.209 2.217 10.474 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.603 1.240 10.059 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.889 3.460 9.052 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.633 2.299 7.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.265 4.453 7.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.442 2.998 7.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.338 3.738 8.973 1.00 0.00 H new ATOM 535 N TYR A 36 8.059 -2.044 9.021 1.00 0.00 N ATOM 536 CA TYR A 36 7.974 -3.309 8.221 1.00 0.00 C ATOM 537 C TYR A 36 6.518 -3.804 8.202 1.00 0.00 C ATOM 538 O TYR A 36 5.942 -4.023 7.152 1.00 0.00 O ATOM 539 CB TYR A 36 8.882 -4.361 8.875 1.00 0.00 C ATOM 540 CG TYR A 36 8.794 -5.675 8.132 1.00 0.00 C ATOM 541 CD1 TYR A 36 8.987 -5.714 6.747 1.00 0.00 C ATOM 542 CD2 TYR A 36 8.517 -6.854 8.835 1.00 0.00 C ATOM 543 CE1 TYR A 36 8.905 -6.933 6.064 1.00 0.00 C ATOM 544 CE2 TYR A 36 8.434 -8.072 8.153 1.00 0.00 C ATOM 545 CZ TYR A 36 8.627 -8.113 6.767 1.00 0.00 C ATOM 546 OH TYR A 36 8.546 -9.315 6.093 1.00 0.00 O ATOM 0 H TYR A 36 8.756 -2.056 9.766 1.00 0.00 H new ATOM 0 HA TYR A 36 8.298 -3.132 7.195 1.00 0.00 H new ATOM 0 HB2 TYR A 36 9.913 -4.008 8.879 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.590 -4.505 9.915 1.00 0.00 H new ATOM 0 HD1 TYR A 36 9.199 -4.804 6.205 1.00 0.00 H new ATOM 0 HD2 TYR A 36 8.367 -6.823 9.904 1.00 0.00 H new ATOM 0 HE1 TYR A 36 9.056 -6.964 4.995 1.00 0.00 H new ATOM 0 HE2 TYR A 36 8.221 -8.981 8.696 1.00 0.00 H new ATOM 0 HH TYR A 36 8.348 -10.034 6.729 1.00 0.00 H new ATOM 556 N ASN A 37 5.926 -3.965 9.356 1.00 0.00 N ATOM 557 CA ASN A 37 4.510 -4.428 9.421 1.00 0.00 C ATOM 558 C ASN A 37 3.605 -3.381 8.762 1.00 0.00 C ATOM 559 O ASN A 37 2.549 -3.698 8.249 1.00 0.00 O ATOM 560 CB ASN A 37 4.099 -4.609 10.884 1.00 0.00 C ATOM 561 CG ASN A 37 3.117 -5.776 10.999 1.00 0.00 C ATOM 562 OD1 ASN A 37 2.073 -5.770 10.376 1.00 0.00 O ATOM 563 ND2 ASN A 37 3.408 -6.785 11.773 1.00 0.00 N ATOM 0 H ASN A 37 6.365 -3.795 10.261 1.00 0.00 H new ATOM 0 HA ASN A 37 4.412 -5.379 8.897 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.979 -4.799 11.499 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.639 -3.695 11.259 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.760 -7.568 11.855 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.284 -6.791 12.296 1.00 0.00 H new ATOM 570 N ALA A 38 4.016 -2.134 8.772 1.00 0.00 N ATOM 571 CA ALA A 38 3.191 -1.052 8.146 1.00 0.00 C ATOM 572 C ALA A 38 2.899 -1.383 6.679 1.00 0.00 C ATOM 573 O ALA A 38 1.761 -1.557 6.285 1.00 0.00 O ATOM 574 CB ALA A 38 3.965 0.267 8.203 1.00 0.00 C ATOM 0 H ALA A 38 4.892 -1.819 9.189 1.00 0.00 H new ATOM 0 HA ALA A 38 2.251 -0.969 8.691 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.369 1.058 7.749 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.174 0.521 9.242 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.904 0.162 7.659 1.00 0.00 H new ATOM 580 N TYR A 39 3.924 -1.451 5.873 1.00 0.00 N ATOM 581 CA TYR A 39 3.733 -1.745 4.421 1.00 0.00 C ATOM 582 C TYR A 39 3.329 -3.208 4.219 1.00 0.00 C ATOM 583 O TYR A 39 2.722 -3.554 3.222 1.00 0.00 O ATOM 584 CB TYR A 39 5.042 -1.466 3.675 1.00 0.00 C ATOM 585 CG TYR A 39 5.468 -0.033 3.916 1.00 0.00 C ATOM 586 CD1 TYR A 39 6.264 0.284 5.023 1.00 0.00 C ATOM 587 CD2 TYR A 39 5.071 0.975 3.030 1.00 0.00 C ATOM 588 CE1 TYR A 39 6.660 1.608 5.248 1.00 0.00 C ATOM 589 CE2 TYR A 39 5.467 2.300 3.254 1.00 0.00 C ATOM 590 CZ TYR A 39 6.261 2.616 4.363 1.00 0.00 C ATOM 591 OH TYR A 39 6.651 3.921 4.583 1.00 0.00 O ATOM 0 H TYR A 39 4.893 -1.315 6.159 1.00 0.00 H new ATOM 0 HA TYR A 39 2.939 -1.108 4.031 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.820 -2.149 4.016 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.909 -1.642 2.608 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.573 -0.494 5.705 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.459 0.731 2.174 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.273 1.851 6.104 1.00 0.00 H new ATOM 0 HE2 TYR A 39 5.160 3.078 2.571 1.00 0.00 H new ATOM 0 HH TYR A 39 6.290 4.494 3.875 1.00 0.00 H new ATOM 601 N ARG A 40 3.660 -4.070 5.148 1.00 0.00 N ATOM 602 CA ARG A 40 3.294 -5.511 5.001 1.00 0.00 C ATOM 603 C ARG A 40 1.770 -5.660 4.982 1.00 0.00 C ATOM 604 O ARG A 40 1.206 -6.223 4.062 1.00 0.00 O ATOM 605 CB ARG A 40 3.867 -6.304 6.176 1.00 0.00 C ATOM 606 CG ARG A 40 5.373 -6.492 5.982 1.00 0.00 C ATOM 607 CD ARG A 40 5.627 -7.728 5.117 1.00 0.00 C ATOM 608 NE ARG A 40 5.557 -8.955 5.969 1.00 0.00 N ATOM 609 CZ ARG A 40 5.577 -10.163 5.440 1.00 0.00 C ATOM 610 NH1 ARG A 40 5.658 -10.343 4.141 1.00 0.00 N ATOM 611 NH2 ARG A 40 5.513 -11.203 6.224 1.00 0.00 N ATOM 0 H ARG A 40 4.168 -3.837 6.001 1.00 0.00 H new ATOM 0 HA ARG A 40 3.705 -5.892 4.066 1.00 0.00 H new ATOM 0 HB2 ARG A 40 3.673 -5.779 7.111 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.375 -7.274 6.247 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.802 -5.609 5.508 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.863 -6.605 6.949 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.888 -7.784 4.318 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.605 -7.658 4.642 1.00 0.00 H new ATOM 0 HE ARG A 40 5.492 -8.855 6.982 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.707 -9.538 3.517 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.672 -11.288 3.757 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.448 -11.077 7.234 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.528 -12.143 5.827 1.00 0.00 H new ATOM 625 N LYS A 41 1.104 -5.166 5.994 1.00 0.00 N ATOM 626 CA LYS A 41 -0.385 -5.281 6.048 1.00 0.00 C ATOM 627 C LYS A 41 -1.007 -4.523 4.872 1.00 0.00 C ATOM 628 O LYS A 41 -1.928 -4.998 4.235 1.00 0.00 O ATOM 629 CB LYS A 41 -0.900 -4.700 7.371 1.00 0.00 C ATOM 630 CG LYS A 41 -0.481 -3.231 7.501 1.00 0.00 C ATOM 631 CD LYS A 41 -0.824 -2.724 8.903 1.00 0.00 C ATOM 632 CE LYS A 41 0.210 -3.244 9.903 1.00 0.00 C ATOM 633 NZ LYS A 41 -0.437 -3.441 11.230 1.00 0.00 N ATOM 0 H LYS A 41 1.528 -4.686 6.788 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.666 -6.332 5.984 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.986 -4.781 7.414 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.504 -5.275 8.208 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.589 -3.129 7.318 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.992 -2.628 6.750 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.839 -1.634 8.913 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.821 -3.059 9.188 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.632 -4.185 9.549 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.035 -2.537 9.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.266 -3.795 11.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.820 -2.535 11.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.210 -4.131 11.140 1.00 0.00 H new ATOM 647 N ALA A 42 -0.510 -3.347 4.585 1.00 0.00 N ATOM 648 CA ALA A 42 -1.069 -2.549 3.452 1.00 0.00 C ATOM 649 C ALA A 42 -0.753 -3.242 2.124 1.00 0.00 C ATOM 650 O ALA A 42 -1.475 -3.099 1.155 1.00 0.00 O ATOM 651 CB ALA A 42 -0.446 -1.151 3.455 1.00 0.00 C ATOM 0 H ALA A 42 0.260 -2.904 5.087 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.150 -2.469 3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.854 -0.569 2.628 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.675 -0.653 4.397 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.635 -1.234 3.342 1.00 0.00 H new ATOM 657 N ALA A 43 0.320 -3.990 2.074 1.00 0.00 N ATOM 658 CA ALA A 43 0.692 -4.693 0.810 1.00 0.00 C ATOM 659 C ALA A 43 -0.270 -5.857 0.553 1.00 0.00 C ATOM 660 O ALA A 43 -0.444 -6.284 -0.573 1.00 0.00 O ATOM 661 CB ALA A 43 2.121 -5.230 0.930 1.00 0.00 C ATOM 0 H ALA A 43 0.956 -4.144 2.857 1.00 0.00 H new ATOM 0 HA ALA A 43 0.630 -3.990 -0.021 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.395 -5.744 0.009 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.808 -4.401 1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.179 -5.928 1.765 1.00 0.00 H new ATOM 667 N SER A 44 -0.889 -6.381 1.583 1.00 0.00 N ATOM 668 CA SER A 44 -1.832 -7.526 1.394 1.00 0.00 C ATOM 669 C SER A 44 -3.251 -7.002 1.147 1.00 0.00 C ATOM 670 O SER A 44 -3.917 -7.410 0.215 1.00 0.00 O ATOM 671 CB SER A 44 -1.825 -8.401 2.647 1.00 0.00 C ATOM 672 OG SER A 44 -2.320 -7.649 3.746 1.00 0.00 O ATOM 0 H SER A 44 -0.781 -6.065 2.547 1.00 0.00 H new ATOM 0 HA SER A 44 -1.513 -8.113 0.533 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.441 -9.286 2.490 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.814 -8.750 2.856 1.00 0.00 H new ATOM 0 HG SER A 44 -1.908 -6.760 3.746 1.00 0.00 H new ATOM 678 N VAL A 45 -3.716 -6.108 1.981 1.00 0.00 N ATOM 679 CA VAL A 45 -5.096 -5.558 1.813 1.00 0.00 C ATOM 680 C VAL A 45 -5.215 -4.851 0.456 1.00 0.00 C ATOM 681 O VAL A 45 -6.266 -4.850 -0.158 1.00 0.00 O ATOM 682 CB VAL A 45 -5.380 -4.567 2.953 1.00 0.00 C ATOM 683 CG1 VAL A 45 -4.346 -3.439 2.926 1.00 0.00 C ATOM 684 CG2 VAL A 45 -6.786 -3.971 2.800 1.00 0.00 C ATOM 0 H VAL A 45 -3.197 -5.733 2.775 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.823 -6.369 1.846 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.318 -5.098 3.903 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.551 -2.738 3.736 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.348 -3.858 3.052 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.402 -2.916 1.971 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.975 -3.271 3.614 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.857 -3.447 1.847 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.526 -4.771 2.831 1.00 0.00 H new ATOM 694 N ILE A 46 -4.154 -4.243 -0.007 1.00 0.00 N ATOM 695 CA ILE A 46 -4.207 -3.524 -1.314 1.00 0.00 C ATOM 696 C ILE A 46 -3.903 -4.497 -2.460 1.00 0.00 C ATOM 697 O ILE A 46 -4.400 -4.339 -3.560 1.00 0.00 O ATOM 698 CB ILE A 46 -3.181 -2.388 -1.307 1.00 0.00 C ATOM 699 CG1 ILE A 46 -3.442 -1.485 -0.098 1.00 0.00 C ATOM 700 CG2 ILE A 46 -3.311 -1.569 -2.593 1.00 0.00 C ATOM 701 CD1 ILE A 46 -2.346 -0.422 0.002 1.00 0.00 C ATOM 0 H ILE A 46 -3.250 -4.214 0.465 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.205 -3.111 -1.461 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.175 -2.804 -1.247 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.417 -1.007 -0.193 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.467 -2.081 0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.579 -0.761 -2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.132 -2.213 -3.454 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.315 -1.149 -2.657 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.537 0.217 0.864 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.377 -0.908 0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.342 0.183 -0.905 1.00 0.00 H new ATOM 713 N ALA A 47 -3.097 -5.498 -2.212 1.00 0.00 N ATOM 714 CA ALA A 47 -2.763 -6.480 -3.287 1.00 0.00 C ATOM 715 C ALA A 47 -3.808 -7.603 -3.326 1.00 0.00 C ATOM 716 O ALA A 47 -3.919 -8.315 -4.307 1.00 0.00 O ATOM 717 CB ALA A 47 -1.385 -7.085 -3.016 1.00 0.00 C ATOM 0 H ALA A 47 -2.655 -5.678 -1.310 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.759 -5.962 -4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.142 -7.802 -3.801 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.636 -6.293 -3.003 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.394 -7.592 -2.051 1.00 0.00 H new ATOM 723 N LYS A 48 -4.572 -7.773 -2.270 1.00 0.00 N ATOM 724 CA LYS A 48 -5.601 -8.854 -2.257 1.00 0.00 C ATOM 725 C LYS A 48 -7.003 -8.237 -2.242 1.00 0.00 C ATOM 726 O LYS A 48 -7.950 -8.844 -1.778 1.00 0.00 O ATOM 727 CB LYS A 48 -5.415 -9.718 -1.008 1.00 0.00 C ATOM 728 CG LYS A 48 -6.197 -11.023 -1.167 1.00 0.00 C ATOM 729 CD LYS A 48 -5.699 -12.046 -0.144 1.00 0.00 C ATOM 730 CE LYS A 48 -6.835 -13.007 0.210 1.00 0.00 C ATOM 731 NZ LYS A 48 -7.803 -12.323 1.112 1.00 0.00 N ATOM 0 H LYS A 48 -4.524 -7.209 -1.421 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.487 -9.468 -3.150 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.357 -9.932 -0.856 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.761 -9.180 -0.126 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.262 -10.840 -1.025 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.072 -11.413 -2.177 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.853 -12.600 -0.550 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.346 -11.537 0.753 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.340 -13.340 -0.697 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.435 -13.896 0.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.346 -13.034 1.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.286 -11.714 1.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.454 -11.742 0.546 1.00 0.00 H new ATOM 745 N TYR A 49 -7.143 -7.037 -2.749 1.00 0.00 N ATOM 746 CA TYR A 49 -8.480 -6.379 -2.769 1.00 0.00 C ATOM 747 C TYR A 49 -9.201 -6.741 -4.081 1.00 0.00 C ATOM 748 O TYR A 49 -8.571 -6.782 -5.119 1.00 0.00 O ATOM 749 CB TYR A 49 -8.290 -4.859 -2.681 1.00 0.00 C ATOM 750 CG TYR A 49 -9.529 -4.198 -2.111 1.00 0.00 C ATOM 751 CD1 TYR A 49 -10.135 -4.708 -0.953 1.00 0.00 C ATOM 752 CD2 TYR A 49 -10.069 -3.068 -2.737 1.00 0.00 C ATOM 753 CE1 TYR A 49 -11.275 -4.092 -0.428 1.00 0.00 C ATOM 754 CE2 TYR A 49 -11.211 -2.452 -2.210 1.00 0.00 C ATOM 755 CZ TYR A 49 -11.814 -2.964 -1.057 1.00 0.00 C ATOM 756 OH TYR A 49 -12.940 -2.356 -0.538 1.00 0.00 O ATOM 0 H TYR A 49 -6.385 -6.486 -3.150 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.078 -6.719 -1.924 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.428 -4.631 -2.054 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.079 -4.456 -3.671 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.720 -5.578 -0.466 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.604 -2.671 -3.627 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -11.740 -4.487 0.463 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.626 -1.581 -2.695 1.00 0.00 H new ATOM 0 HH TYR A 49 -13.182 -1.586 -1.094 1.00 0.00 H new ATOM 766 N PRO A 50 -10.498 -6.996 -4.017 1.00 0.00 N ATOM 767 CA PRO A 50 -11.320 -7.359 -5.214 1.00 0.00 C ATOM 768 C PRO A 50 -11.842 -6.110 -5.930 1.00 0.00 C ATOM 769 O PRO A 50 -12.708 -6.201 -6.780 1.00 0.00 O ATOM 770 CB PRO A 50 -12.476 -8.151 -4.619 1.00 0.00 C ATOM 771 CG PRO A 50 -12.620 -7.725 -3.168 1.00 0.00 C ATOM 772 CD PRO A 50 -11.351 -6.962 -2.775 1.00 0.00 C ATOM 0 HA PRO A 50 -10.751 -7.914 -5.960 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -13.397 -7.957 -5.169 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -12.283 -9.222 -4.687 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.500 -7.094 -3.041 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -12.756 -8.595 -2.526 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.578 -5.939 -2.476 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -10.847 -7.435 -1.933 1.00 0.00 H new ATOM 780 N HIS A 51 -11.339 -4.944 -5.592 1.00 0.00 N ATOM 781 CA HIS A 51 -11.837 -3.703 -6.260 1.00 0.00 C ATOM 782 C HIS A 51 -10.694 -2.694 -6.394 1.00 0.00 C ATOM 783 O HIS A 51 -9.622 -2.884 -5.854 1.00 0.00 O ATOM 784 CB HIS A 51 -12.978 -3.096 -5.430 1.00 0.00 C ATOM 785 CG HIS A 51 -13.957 -4.180 -5.056 1.00 0.00 C ATOM 786 ND1 HIS A 51 -14.826 -4.743 -5.976 1.00 0.00 N ATOM 787 CD2 HIS A 51 -14.184 -4.841 -3.874 1.00 0.00 C ATOM 788 CE1 HIS A 51 -15.527 -5.701 -5.339 1.00 0.00 C ATOM 789 NE2 HIS A 51 -15.176 -5.799 -4.056 1.00 0.00 N ATOM 0 H HIS A 51 -10.613 -4.801 -4.890 1.00 0.00 H new ATOM 0 HA HIS A 51 -12.209 -3.951 -7.254 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -12.578 -2.626 -4.531 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -13.482 -2.316 -6.001 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -13.670 -4.647 -2.944 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -16.281 -6.315 -5.810 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -15.554 -6.439 -3.358 1.00 0.00 H new ATOM 797 N LYS A 52 -10.917 -1.628 -7.121 1.00 0.00 N ATOM 798 CA LYS A 52 -9.848 -0.603 -7.306 1.00 0.00 C ATOM 799 C LYS A 52 -10.013 0.508 -6.269 1.00 0.00 C ATOM 800 O LYS A 52 -11.114 0.837 -5.868 1.00 0.00 O ATOM 801 CB LYS A 52 -9.955 -0.007 -8.712 1.00 0.00 C ATOM 802 CG LYS A 52 -8.576 0.471 -9.174 1.00 0.00 C ATOM 803 CD LYS A 52 -8.427 1.966 -8.883 1.00 0.00 C ATOM 804 CE LYS A 52 -7.588 2.620 -9.981 1.00 0.00 C ATOM 805 NZ LYS A 52 -7.542 4.094 -9.761 1.00 0.00 N ATOM 0 H LYS A 52 -11.797 -1.424 -7.595 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.872 -1.072 -7.179 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.344 -0.753 -9.405 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.658 0.826 -8.712 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.795 -0.089 -8.660 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.454 0.284 -10.241 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.409 2.437 -8.832 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.953 2.113 -7.913 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.578 2.209 -9.975 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.016 2.401 -10.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.971 4.539 -10.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.508 4.479 -9.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.115 4.293 -8.834 1.00 0.00 H new ATOM 819 N ILE A 53 -8.923 1.088 -5.835 1.00 0.00 N ATOM 820 CA ILE A 53 -9.001 2.184 -4.824 1.00 0.00 C ATOM 821 C ILE A 53 -8.946 3.534 -5.542 1.00 0.00 C ATOM 822 O ILE A 53 -8.129 3.746 -6.419 1.00 0.00 O ATOM 823 CB ILE A 53 -7.821 2.070 -3.853 1.00 0.00 C ATOM 824 CG1 ILE A 53 -7.803 0.673 -3.227 1.00 0.00 C ATOM 825 CG2 ILE A 53 -7.964 3.118 -2.745 1.00 0.00 C ATOM 826 CD1 ILE A 53 -6.357 0.259 -2.948 1.00 0.00 C ATOM 0 H ILE A 53 -7.979 0.848 -6.139 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.934 2.104 -4.266 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.892 2.238 -4.397 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.379 0.670 -2.301 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.275 -0.044 -3.898 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.124 3.035 -2.055 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.975 4.115 -3.186 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.895 2.951 -2.204 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.343 -0.736 -2.502 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.796 0.246 -3.882 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.901 0.971 -2.260 1.00 0.00 H new ATOM 838 N LYS A 54 -9.811 4.448 -5.178 1.00 0.00 N ATOM 839 CA LYS A 54 -9.817 5.786 -5.839 1.00 0.00 C ATOM 840 C LYS A 54 -9.108 6.805 -4.942 1.00 0.00 C ATOM 841 O LYS A 54 -8.145 7.430 -5.343 1.00 0.00 O ATOM 842 CB LYS A 54 -11.262 6.232 -6.075 1.00 0.00 C ATOM 843 CG LYS A 54 -11.692 5.843 -7.491 1.00 0.00 C ATOM 844 CD LYS A 54 -11.930 4.332 -7.555 1.00 0.00 C ATOM 845 CE LYS A 54 -12.137 3.910 -9.011 1.00 0.00 C ATOM 846 NZ LYS A 54 -13.502 4.307 -9.455 1.00 0.00 N ATOM 0 H LYS A 54 -10.514 4.323 -4.450 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.296 5.720 -6.794 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.922 5.767 -5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.347 7.310 -5.941 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.601 6.377 -7.766 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.924 6.132 -8.208 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.079 3.801 -7.129 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.803 4.065 -6.960 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.386 4.379 -9.647 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.010 2.832 -9.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.648 4.005 -10.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.211 3.853 -8.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.601 5.340 -9.392 1.00 0.00 H new ATOM 860 N SER A 55 -9.582 6.976 -3.735 1.00 0.00 N ATOM 861 CA SER A 55 -8.944 7.955 -2.806 1.00 0.00 C ATOM 862 C SER A 55 -8.134 7.203 -1.747 1.00 0.00 C ATOM 863 O SER A 55 -8.351 6.031 -1.506 1.00 0.00 O ATOM 864 CB SER A 55 -10.029 8.787 -2.121 1.00 0.00 C ATOM 865 OG SER A 55 -10.413 9.854 -2.979 1.00 0.00 O ATOM 0 H SER A 55 -10.386 6.478 -3.352 1.00 0.00 H new ATOM 0 HA SER A 55 -8.282 8.612 -3.370 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.892 8.162 -1.890 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.658 9.181 -1.175 1.00 0.00 H new ATOM 0 HG SER A 55 -11.110 10.389 -2.544 1.00 0.00 H new ATOM 871 N GLY A 56 -7.205 7.874 -1.115 1.00 0.00 N ATOM 872 CA GLY A 56 -6.375 7.210 -0.068 1.00 0.00 C ATOM 873 C GLY A 56 -7.269 6.770 1.091 1.00 0.00 C ATOM 874 O GLY A 56 -7.006 5.780 1.747 1.00 0.00 O ATOM 0 H GLY A 56 -6.986 8.856 -1.280 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.859 6.348 -0.491 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.608 7.896 0.291 1.00 0.00 H new ATOM 878 N ALA A 57 -8.328 7.499 1.343 1.00 0.00 N ATOM 879 CA ALA A 57 -9.251 7.130 2.457 1.00 0.00 C ATOM 880 C ALA A 57 -9.865 5.757 2.174 1.00 0.00 C ATOM 881 O ALA A 57 -10.166 5.003 3.081 1.00 0.00 O ATOM 882 CB ALA A 57 -10.364 8.174 2.566 1.00 0.00 C ATOM 0 H ALA A 57 -8.592 8.336 0.823 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.695 7.095 3.394 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.038 7.904 3.379 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.927 9.152 2.766 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.922 8.210 1.630 1.00 0.00 H new ATOM 888 N GLU A 58 -10.047 5.430 0.921 1.00 0.00 N ATOM 889 CA GLU A 58 -10.637 4.107 0.562 1.00 0.00 C ATOM 890 C GLU A 58 -9.658 2.985 0.928 1.00 0.00 C ATOM 891 O GLU A 58 -10.051 1.849 1.109 1.00 0.00 O ATOM 892 CB GLU A 58 -10.920 4.067 -0.941 1.00 0.00 C ATOM 893 CG GLU A 58 -12.007 3.029 -1.229 1.00 0.00 C ATOM 894 CD GLU A 58 -12.440 3.136 -2.692 1.00 0.00 C ATOM 895 OE1 GLU A 58 -13.188 4.048 -3.003 1.00 0.00 O ATOM 896 OE2 GLU A 58 -12.017 2.302 -3.478 1.00 0.00 O ATOM 0 H GLU A 58 -9.811 6.026 0.127 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.567 3.966 1.113 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.240 5.050 -1.288 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.010 3.817 -1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.632 2.027 -1.022 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.862 3.191 -0.573 1.00 0.00 H new ATOM 903 N ALA A 59 -8.387 3.292 1.040 1.00 0.00 N ATOM 904 CA ALA A 59 -7.385 2.243 1.395 1.00 0.00 C ATOM 905 C ALA A 59 -7.320 2.086 2.917 1.00 0.00 C ATOM 906 O ALA A 59 -7.022 1.022 3.426 1.00 0.00 O ATOM 907 CB ALA A 59 -6.009 2.656 0.868 1.00 0.00 C ATOM 0 H ALA A 59 -8.002 4.226 0.900 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.680 1.295 0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.276 1.892 1.126 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.052 2.766 -0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.717 3.605 1.318 1.00 0.00 H new ATOM 913 N LYS A 60 -7.591 3.141 3.645 1.00 0.00 N ATOM 914 CA LYS A 60 -7.541 3.063 5.136 1.00 0.00 C ATOM 915 C LYS A 60 -8.778 2.327 5.660 1.00 0.00 C ATOM 916 O LYS A 60 -8.701 1.566 6.606 1.00 0.00 O ATOM 917 CB LYS A 60 -7.508 4.477 5.718 1.00 0.00 C ATOM 918 CG LYS A 60 -7.237 4.405 7.223 1.00 0.00 C ATOM 919 CD LYS A 60 -7.506 5.772 7.857 1.00 0.00 C ATOM 920 CE LYS A 60 -8.935 5.810 8.403 1.00 0.00 C ATOM 921 NZ LYS A 60 -8.927 5.431 9.844 1.00 0.00 N ATOM 0 H LYS A 60 -7.845 4.055 3.269 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.645 2.520 5.437 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.734 5.066 5.226 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.457 4.980 5.533 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.873 3.648 7.682 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.205 4.106 7.403 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.793 5.958 8.660 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.367 6.561 7.118 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.356 6.808 8.281 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.569 5.126 7.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.898 5.457 10.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.542 4.471 9.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.335 6.101 10.376 1.00 0.00 H new ATOM 935 N LYS A 61 -9.915 2.553 5.054 1.00 0.00 N ATOM 936 CA LYS A 61 -11.166 1.874 5.510 1.00 0.00 C ATOM 937 C LYS A 61 -11.009 0.351 5.411 1.00 0.00 C ATOM 938 O LYS A 61 -11.681 -0.393 6.099 1.00 0.00 O ATOM 939 CB LYS A 61 -12.335 2.320 4.628 1.00 0.00 C ATOM 940 CG LYS A 61 -12.018 2.013 3.161 1.00 0.00 C ATOM 941 CD LYS A 61 -13.280 2.189 2.314 1.00 0.00 C ATOM 942 CE LYS A 61 -13.285 1.159 1.183 1.00 0.00 C ATOM 943 NZ LYS A 61 -14.425 1.436 0.264 1.00 0.00 N ATOM 0 H LYS A 61 -10.032 3.182 4.259 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.359 2.145 6.548 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.248 1.805 4.929 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.514 3.388 4.756 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.232 2.677 2.802 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.643 0.994 3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.167 2.067 2.935 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.316 3.197 1.902 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.344 1.200 0.635 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.371 0.153 1.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -14.158 1.178 -0.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.251 0.875 0.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.663 2.448 0.301 1.00 0.00 H new ATOM 957 N LEU A 62 -10.131 -0.113 4.556 1.00 0.00 N ATOM 958 CA LEU A 62 -9.937 -1.585 4.407 1.00 0.00 C ATOM 959 C LEU A 62 -9.281 -2.146 5.678 1.00 0.00 C ATOM 960 O LEU A 62 -8.546 -1.442 6.346 1.00 0.00 O ATOM 961 CB LEU A 62 -9.035 -1.875 3.198 1.00 0.00 C ATOM 962 CG LEU A 62 -9.544 -1.126 1.960 1.00 0.00 C ATOM 963 CD1 LEU A 62 -8.609 -1.404 0.781 1.00 0.00 C ATOM 964 CD2 LEU A 62 -10.956 -1.601 1.606 1.00 0.00 C ATOM 0 H LEU A 62 -9.542 0.465 3.956 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.906 -2.059 4.253 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.011 -1.572 3.419 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.015 -2.947 3.000 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.567 -0.057 2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.968 -0.873 -0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.603 -1.063 1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.589 -2.475 0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.310 -1.064 0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.938 -2.670 1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.626 -1.407 2.444 1.00 0.00 H new ATOM 976 N PRO A 63 -9.556 -3.401 5.985 1.00 0.00 N ATOM 977 CA PRO A 63 -8.995 -4.088 7.192 1.00 0.00 C ATOM 978 C PRO A 63 -7.560 -4.536 6.923 1.00 0.00 C ATOM 979 O PRO A 63 -7.319 -5.548 6.291 1.00 0.00 O ATOM 980 CB PRO A 63 -9.918 -5.281 7.391 1.00 0.00 C ATOM 981 CG PRO A 63 -10.551 -5.587 6.047 1.00 0.00 C ATOM 982 CD PRO A 63 -10.448 -4.323 5.190 1.00 0.00 C ATOM 0 HA PRO A 63 -8.952 -3.448 8.073 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -9.360 -6.142 7.758 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.683 -5.056 8.134 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -10.041 -6.420 5.564 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.593 -5.881 6.172 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.022 -4.541 4.211 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.428 -3.878 5.019 1.00 0.00 H new ATOM 990 N GLY A 64 -6.610 -3.778 7.398 1.00 0.00 N ATOM 991 CA GLY A 64 -5.178 -4.131 7.180 1.00 0.00 C ATOM 992 C GLY A 64 -4.360 -2.851 6.994 1.00 0.00 C ATOM 993 O GLY A 64 -3.181 -2.814 7.292 1.00 0.00 O ATOM 0 H GLY A 64 -6.766 -2.923 7.932 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.798 -4.698 8.030 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.079 -4.769 6.302 1.00 0.00 H new ATOM 997 N VAL A 65 -4.976 -1.802 6.506 1.00 0.00 N ATOM 998 CA VAL A 65 -4.233 -0.524 6.300 1.00 0.00 C ATOM 999 C VAL A 65 -4.319 0.328 7.568 1.00 0.00 C ATOM 1000 O VAL A 65 -5.355 0.416 8.199 1.00 0.00 O ATOM 1001 CB VAL A 65 -4.848 0.245 5.127 1.00 0.00 C ATOM 1002 CG1 VAL A 65 -4.007 1.488 4.829 1.00 0.00 C ATOM 1003 CG2 VAL A 65 -4.879 -0.654 3.891 1.00 0.00 C ATOM 0 H VAL A 65 -5.961 -1.777 6.242 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.189 -0.746 6.081 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.863 0.548 5.386 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.447 2.033 3.994 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.983 2.130 5.709 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.992 1.187 4.571 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.316 -0.108 3.055 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.863 -0.956 3.635 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.479 -1.539 4.100 1.00 0.00 H new ATOM 1013 N GLY A 66 -3.232 0.956 7.940 1.00 0.00 N ATOM 1014 CA GLY A 66 -3.235 1.809 9.165 1.00 0.00 C ATOM 1015 C GLY A 66 -3.402 3.274 8.764 1.00 0.00 C ATOM 1016 O GLY A 66 -4.068 3.587 7.795 1.00 0.00 O ATOM 0 H GLY A 66 -2.341 0.914 7.446 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.045 1.508 9.829 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.304 1.675 9.717 1.00 0.00 H new ATOM 1020 N THR A 67 -2.802 4.173 9.502 1.00 0.00 N ATOM 1021 CA THR A 67 -2.921 5.623 9.170 1.00 0.00 C ATOM 1022 C THR A 67 -1.663 6.089 8.430 1.00 0.00 C ATOM 1023 O THR A 67 -1.708 7.014 7.640 1.00 0.00 O ATOM 1024 CB THR A 67 -3.080 6.430 10.461 1.00 0.00 C ATOM 1025 OG1 THR A 67 -2.319 5.821 11.494 1.00 0.00 O ATOM 1026 CG2 THR A 67 -4.555 6.466 10.863 1.00 0.00 C ATOM 0 H THR A 67 -2.233 3.963 10.322 1.00 0.00 H new ATOM 0 HA THR A 67 -3.792 5.776 8.533 1.00 0.00 H new ATOM 0 HB THR A 67 -2.725 7.448 10.301 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.418 6.337 12.321 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.668 7.041 11.782 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.137 6.934 10.069 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.913 5.449 11.025 1.00 0.00 H new ATOM 1034 N LYS A 68 -0.545 5.458 8.683 1.00 0.00 N ATOM 1035 CA LYS A 68 0.720 5.861 8.001 1.00 0.00 C ATOM 1036 C LYS A 68 0.674 5.435 6.531 1.00 0.00 C ATOM 1037 O LYS A 68 0.730 6.258 5.636 1.00 0.00 O ATOM 1038 CB LYS A 68 1.907 5.184 8.690 1.00 0.00 C ATOM 1039 CG LYS A 68 2.303 5.985 9.932 1.00 0.00 C ATOM 1040 CD LYS A 68 3.683 5.531 10.415 1.00 0.00 C ATOM 1041 CE LYS A 68 4.398 6.701 11.091 1.00 0.00 C ATOM 1042 NZ LYS A 68 5.868 6.571 10.884 1.00 0.00 N ATOM 0 H LYS A 68 -0.454 4.679 9.335 1.00 0.00 H new ATOM 0 HA LYS A 68 0.831 6.944 8.059 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.644 4.164 8.971 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.751 5.118 8.003 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.319 7.050 9.701 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.565 5.841 10.721 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.580 4.701 11.114 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.273 5.168 9.574 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.044 7.645 10.678 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.170 6.714 12.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.355 7.367 11.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.199 5.676 11.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.077 6.579 9.865 1.00 0.00 H new ATOM 1056 N ILE A 69 0.579 4.155 6.278 1.00 0.00 N ATOM 1057 CA ILE A 69 0.536 3.672 4.866 1.00 0.00 C ATOM 1058 C ILE A 69 -0.740 4.171 4.188 1.00 0.00 C ATOM 1059 O ILE A 69 -0.752 4.444 3.004 1.00 0.00 O ATOM 1060 CB ILE A 69 0.561 2.142 4.847 1.00 0.00 C ATOM 1061 CG1 ILE A 69 1.770 1.626 5.640 1.00 0.00 C ATOM 1062 CG2 ILE A 69 0.650 1.645 3.401 1.00 0.00 C ATOM 1063 CD1 ILE A 69 3.075 2.188 5.059 1.00 0.00 C ATOM 0 H ILE A 69 0.529 3.424 6.988 1.00 0.00 H new ATOM 0 HA ILE A 69 1.403 4.056 4.328 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.354 1.768 5.305 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.676 1.916 6.686 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.792 0.537 5.612 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.668 0.555 3.391 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.215 1.999 2.841 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.561 2.027 2.941 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.921 1.811 5.634 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.175 1.876 4.019 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.057 3.277 5.111 1.00 0.00 H new ATOM 1075 N ALA A 70 -1.815 4.291 4.928 1.00 0.00 N ATOM 1076 CA ALA A 70 -3.106 4.769 4.330 1.00 0.00 C ATOM 1077 C ALA A 70 -2.886 6.089 3.579 1.00 0.00 C ATOM 1078 O ALA A 70 -3.158 6.189 2.396 1.00 0.00 O ATOM 1079 CB ALA A 70 -4.134 4.981 5.440 1.00 0.00 C ATOM 0 H ALA A 70 -1.856 4.078 5.925 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.471 4.018 3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.072 5.328 5.006 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.303 4.040 5.964 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.762 5.726 6.143 1.00 0.00 H new ATOM 1085 N GLU A 71 -2.388 7.098 4.255 1.00 0.00 N ATOM 1086 CA GLU A 71 -2.141 8.407 3.583 1.00 0.00 C ATOM 1087 C GLU A 71 -1.184 8.200 2.407 1.00 0.00 C ATOM 1088 O GLU A 71 -1.258 8.885 1.404 1.00 0.00 O ATOM 1089 CB GLU A 71 -1.529 9.393 4.580 1.00 0.00 C ATOM 1090 CG GLU A 71 -0.304 8.767 5.249 1.00 0.00 C ATOM 1091 CD GLU A 71 0.478 9.849 5.997 1.00 0.00 C ATOM 1092 OE1 GLU A 71 0.754 10.875 5.397 1.00 0.00 O ATOM 1093 OE2 GLU A 71 0.787 9.632 7.157 1.00 0.00 O ATOM 0 H GLU A 71 -2.143 7.068 5.245 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.085 8.811 3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.244 10.312 4.067 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.267 9.665 5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.615 7.984 5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.332 8.296 4.499 1.00 0.00 H new ATOM 1100 N LYS A 72 -0.295 7.246 2.525 1.00 0.00 N ATOM 1101 CA LYS A 72 0.668 6.967 1.420 1.00 0.00 C ATOM 1102 C LYS A 72 -0.110 6.522 0.174 1.00 0.00 C ATOM 1103 O LYS A 72 0.318 6.736 -0.944 1.00 0.00 O ATOM 1104 CB LYS A 72 1.636 5.856 1.857 1.00 0.00 C ATOM 1105 CG LYS A 72 3.082 6.331 1.689 1.00 0.00 C ATOM 1106 CD LYS A 72 3.575 5.985 0.283 1.00 0.00 C ATOM 1107 CE LYS A 72 4.864 6.754 -0.011 1.00 0.00 C ATOM 1108 NZ LYS A 72 5.991 6.143 0.751 1.00 0.00 N ATOM 0 H LYS A 72 -0.196 6.646 3.344 1.00 0.00 H new ATOM 0 HA LYS A 72 1.237 7.867 1.188 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.450 5.588 2.897 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.467 4.959 1.261 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.143 7.407 1.852 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.720 5.858 2.436 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.753 4.913 0.202 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.812 6.238 -0.454 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.078 6.731 -1.079 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.747 7.801 0.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.868 6.665 0.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.786 6.187 1.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.106 5.150 0.464 1.00 0.00 H new ATOM 1122 N ILE A 73 -1.253 5.908 0.362 1.00 0.00 N ATOM 1123 CA ILE A 73 -2.066 5.456 -0.805 1.00 0.00 C ATOM 1124 C ILE A 73 -2.661 6.681 -1.501 1.00 0.00 C ATOM 1125 O ILE A 73 -2.657 6.782 -2.711 1.00 0.00 O ATOM 1126 CB ILE A 73 -3.199 4.543 -0.323 1.00 0.00 C ATOM 1127 CG1 ILE A 73 -2.626 3.390 0.517 1.00 0.00 C ATOM 1128 CG2 ILE A 73 -3.959 3.977 -1.530 1.00 0.00 C ATOM 1129 CD1 ILE A 73 -1.636 2.561 -0.310 1.00 0.00 C ATOM 0 H ILE A 73 -1.657 5.701 1.276 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.433 4.905 -1.501 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.884 5.125 0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.126 3.789 1.400 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.436 2.753 0.870 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.763 3.329 -1.182 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.380 4.797 -2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.274 3.403 -2.154 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.241 1.750 0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.146 2.145 -1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.816 3.198 -0.641 1.00 0.00 H new ATOM 1141 N ASP A 74 -3.176 7.615 -0.738 1.00 0.00 N ATOM 1142 CA ASP A 74 -3.785 8.846 -1.340 1.00 0.00 C ATOM 1143 C ASP A 74 -2.803 9.509 -2.315 1.00 0.00 C ATOM 1144 O ASP A 74 -3.150 9.801 -3.444 1.00 0.00 O ATOM 1145 CB ASP A 74 -4.137 9.835 -0.225 1.00 0.00 C ATOM 1146 CG ASP A 74 -5.434 10.568 -0.579 1.00 0.00 C ATOM 1147 OD1 ASP A 74 -5.614 10.880 -1.744 1.00 0.00 O ATOM 1148 OD2 ASP A 74 -6.223 10.802 0.321 1.00 0.00 O ATOM 0 H ASP A 74 -3.201 7.578 0.281 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.685 8.563 -1.885 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.253 9.306 0.721 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.327 10.552 -0.092 1.00 0.00 H new ATOM 1153 N GLU A 75 -1.583 9.739 -1.894 1.00 0.00 N ATOM 1154 CA GLU A 75 -0.583 10.374 -2.808 1.00 0.00 C ATOM 1155 C GLU A 75 -0.363 9.465 -4.021 1.00 0.00 C ATOM 1156 O GLU A 75 -0.085 9.925 -5.111 1.00 0.00 O ATOM 1157 CB GLU A 75 0.742 10.582 -2.067 1.00 0.00 C ATOM 1158 CG GLU A 75 1.227 9.251 -1.492 1.00 0.00 C ATOM 1159 CD GLU A 75 2.656 9.411 -0.969 1.00 0.00 C ATOM 1160 OE1 GLU A 75 2.818 10.000 0.087 1.00 0.00 O ATOM 1161 OE2 GLU A 75 3.565 8.942 -1.635 1.00 0.00 O ATOM 0 H GLU A 75 -1.238 9.515 -0.961 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.956 11.343 -3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.490 10.989 -2.747 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.611 11.309 -1.265 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.567 8.929 -0.686 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.194 8.478 -2.259 1.00 0.00 H new ATOM 1168 N PHE A 76 -0.505 8.176 -3.835 1.00 0.00 N ATOM 1169 CA PHE A 76 -0.328 7.224 -4.970 1.00 0.00 C ATOM 1170 C PHE A 76 -1.423 7.471 -6.002 1.00 0.00 C ATOM 1171 O PHE A 76 -1.184 7.464 -7.195 1.00 0.00 O ATOM 1172 CB PHE A 76 -0.442 5.786 -4.445 1.00 0.00 C ATOM 1173 CG PHE A 76 0.902 5.111 -4.508 1.00 0.00 C ATOM 1174 CD1 PHE A 76 1.435 4.740 -5.745 1.00 0.00 C ATOM 1175 CD2 PHE A 76 1.608 4.859 -3.331 1.00 0.00 C ATOM 1176 CE1 PHE A 76 2.686 4.113 -5.805 1.00 0.00 C ATOM 1177 CE2 PHE A 76 2.859 4.232 -3.387 1.00 0.00 C ATOM 1178 CZ PHE A 76 3.398 3.859 -4.625 1.00 0.00 C ATOM 0 H PHE A 76 -0.737 7.742 -2.941 1.00 0.00 H new ATOM 0 HA PHE A 76 0.650 7.371 -5.427 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.808 5.792 -3.418 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.167 5.229 -5.039 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.884 4.936 -6.653 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.190 5.147 -2.378 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.101 3.826 -6.760 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.407 4.036 -2.477 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.363 3.375 -4.670 1.00 0.00 H new ATOM 1188 N LEU A 77 -2.624 7.672 -5.540 1.00 0.00 N ATOM 1189 CA LEU A 77 -3.760 7.904 -6.468 1.00 0.00 C ATOM 1190 C LEU A 77 -3.816 9.381 -6.877 1.00 0.00 C ATOM 1191 O LEU A 77 -4.373 9.721 -7.904 1.00 0.00 O ATOM 1192 CB LEU A 77 -5.062 7.515 -5.758 1.00 0.00 C ATOM 1193 CG LEU A 77 -5.273 5.991 -5.778 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -5.244 5.463 -7.213 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -4.176 5.304 -4.964 1.00 0.00 C ATOM 0 H LEU A 77 -2.868 7.685 -4.550 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.628 7.300 -7.365 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.036 7.868 -4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.905 8.008 -6.243 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.247 5.773 -5.340 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.395 4.384 -7.207 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.037 5.937 -7.791 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.279 5.692 -7.665 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.331 4.225 -4.982 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.203 5.538 -5.395 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.211 5.658 -3.934 1.00 0.00 H new ATOM 1207 N ALA A 78 -3.249 10.260 -6.085 1.00 0.00 N ATOM 1208 CA ALA A 78 -3.275 11.714 -6.431 1.00 0.00 C ATOM 1209 C ALA A 78 -2.550 11.940 -7.764 1.00 0.00 C ATOM 1210 O ALA A 78 -3.173 12.120 -8.793 1.00 0.00 O ATOM 1211 CB ALA A 78 -2.582 12.514 -5.325 1.00 0.00 C ATOM 0 H ALA A 78 -2.770 10.032 -5.214 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.309 12.046 -6.524 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.601 13.574 -5.577 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.103 12.356 -4.381 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.548 12.182 -5.229 1.00 0.00 H new ATOM 1217 N THR A 79 -1.241 11.931 -7.750 1.00 0.00 N ATOM 1218 CA THR A 79 -0.470 12.143 -9.012 1.00 0.00 C ATOM 1219 C THR A 79 0.539 11.007 -9.193 1.00 0.00 C ATOM 1220 O THR A 79 0.706 10.483 -10.279 1.00 0.00 O ATOM 1221 CB THR A 79 0.269 13.483 -8.944 1.00 0.00 C ATOM 1222 OG1 THR A 79 1.087 13.627 -10.096 1.00 0.00 O ATOM 1223 CG2 THR A 79 1.142 13.529 -7.688 1.00 0.00 C ATOM 0 H THR A 79 -0.672 11.785 -6.916 1.00 0.00 H new ATOM 0 HA THR A 79 -1.157 12.153 -9.858 1.00 0.00 H new ATOM 0 HB THR A 79 -0.457 14.295 -8.906 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.560 14.484 -10.056 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.666 14.484 -7.644 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.514 13.418 -6.804 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.869 12.718 -7.720 1.00 0.00 H new ATOM 1231 N GLY A 80 1.211 10.624 -8.137 1.00 0.00 N ATOM 1232 CA GLY A 80 2.213 9.521 -8.239 1.00 0.00 C ATOM 1233 C GLY A 80 3.569 10.096 -8.650 1.00 0.00 C ATOM 1234 O GLY A 80 4.117 9.741 -9.676 1.00 0.00 O ATOM 0 H GLY A 80 1.108 11.029 -7.206 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.300 9.006 -7.282 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.883 8.783 -8.970 1.00 0.00 H new ATOM 1238 N LYS A 81 4.112 10.983 -7.854 1.00 0.00 N ATOM 1239 CA LYS A 81 5.434 11.588 -8.190 1.00 0.00 C ATOM 1240 C LYS A 81 6.287 11.687 -6.923 1.00 0.00 C ATOM 1241 O LYS A 81 5.800 11.511 -5.822 1.00 0.00 O ATOM 1242 CB LYS A 81 5.222 12.986 -8.774 1.00 0.00 C ATOM 1243 CG LYS A 81 5.049 12.886 -10.291 1.00 0.00 C ATOM 1244 CD LYS A 81 5.655 14.122 -10.957 1.00 0.00 C ATOM 1245 CE LYS A 81 6.256 13.731 -12.309 1.00 0.00 C ATOM 1246 NZ LYS A 81 6.696 14.958 -13.031 1.00 0.00 N ATOM 0 H LYS A 81 3.694 11.314 -6.984 1.00 0.00 H new ATOM 0 HA LYS A 81 5.944 10.963 -8.923 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.342 13.449 -8.327 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.073 13.624 -8.536 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.534 11.984 -10.664 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.991 12.806 -10.542 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.890 14.886 -11.095 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.424 14.553 -10.316 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.102 13.059 -12.162 1.00 0.00 H new ATOM 0 HE3 LYS A 81 5.520 13.191 -12.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 7.104 14.692 -13.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.879 15.583 -13.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 7.412 15.456 -12.465 1.00 0.00 H new ATOM 1260 N LEU A 82 7.556 11.969 -7.075 1.00 0.00 N ATOM 1261 CA LEU A 82 8.452 12.083 -5.889 1.00 0.00 C ATOM 1262 C LEU A 82 8.460 13.531 -5.404 1.00 0.00 C ATOM 1263 O LEU A 82 9.205 14.356 -5.899 1.00 0.00 O ATOM 1264 CB LEU A 82 9.876 11.669 -6.286 1.00 0.00 C ATOM 1265 CG LEU A 82 10.004 10.139 -6.323 1.00 0.00 C ATOM 1266 CD1 LEU A 82 9.718 9.557 -4.935 1.00 0.00 C ATOM 1267 CD2 LEU A 82 9.015 9.551 -7.335 1.00 0.00 C ATOM 0 H LEU A 82 8.010 12.126 -7.975 1.00 0.00 H new ATOM 0 HA LEU A 82 8.093 11.432 -5.092 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.122 12.084 -7.264 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.592 12.082 -5.575 1.00 0.00 H new ATOM 0 HG LEU A 82 11.020 9.881 -6.622 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.811 8.471 -4.969 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.433 9.960 -4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.707 9.825 -4.629 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.115 8.466 -7.353 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.998 9.817 -7.047 1.00 0.00 H new ATOM 0 HD23 LEU A 82 9.228 9.951 -8.326 1.00 0.00 H new ATOM 1279 N ARG A 83 7.633 13.848 -4.440 1.00 0.00 N ATOM 1280 CA ARG A 83 7.583 15.244 -3.919 1.00 0.00 C ATOM 1281 C ARG A 83 8.934 15.608 -3.299 1.00 0.00 C ATOM 1282 O ARG A 83 9.560 14.800 -2.638 1.00 0.00 O ATOM 1283 CB ARG A 83 6.488 15.355 -2.856 1.00 0.00 C ATOM 1284 CG ARG A 83 5.146 14.928 -3.458 1.00 0.00 C ATOM 1285 CD ARG A 83 4.238 14.390 -2.351 1.00 0.00 C ATOM 1286 NE ARG A 83 3.838 15.510 -1.445 1.00 0.00 N ATOM 1287 CZ ARG A 83 3.069 15.304 -0.394 1.00 0.00 C ATOM 1288 NH1 ARG A 83 2.617 14.106 -0.097 1.00 0.00 N ATOM 1289 NH2 ARG A 83 2.746 16.313 0.367 1.00 0.00 N ATOM 0 H ARG A 83 6.989 13.197 -3.991 1.00 0.00 H new ATOM 0 HA ARG A 83 7.364 15.928 -4.739 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.732 14.725 -2.001 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.425 16.380 -2.490 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.671 15.775 -3.953 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.303 14.163 -4.218 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.353 13.926 -2.786 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.757 13.617 -1.784 1.00 0.00 H new ATOM 0 HE ARG A 83 4.167 16.455 -1.644 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.860 13.309 -0.685 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.024 13.973 0.722 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.088 17.248 0.146 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.152 16.167 1.183 1.00 0.00 H new ATOM 1303 N LYS A 84 9.385 16.819 -3.509 1.00 0.00 N ATOM 1304 CA LYS A 84 10.696 17.246 -2.937 1.00 0.00 C ATOM 1305 C LYS A 84 10.455 18.210 -1.775 1.00 0.00 C ATOM 1306 O LYS A 84 10.810 17.933 -0.644 1.00 0.00 O ATOM 1307 CB LYS A 84 11.520 17.946 -4.019 1.00 0.00 C ATOM 1308 CG LYS A 84 11.701 17.008 -5.214 1.00 0.00 C ATOM 1309 CD LYS A 84 13.006 16.228 -5.059 1.00 0.00 C ATOM 1310 CE LYS A 84 13.037 15.076 -6.065 1.00 0.00 C ATOM 1311 NZ LYS A 84 14.441 14.832 -6.500 1.00 0.00 N ATOM 0 H LYS A 84 8.899 17.532 -4.054 1.00 0.00 H new ATOM 0 HA LYS A 84 11.238 16.372 -2.577 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.021 18.862 -4.335 1.00 0.00 H new ATOM 0 HB3 LYS A 84 12.492 18.235 -3.620 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.859 16.319 -5.279 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.716 17.582 -6.141 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.858 16.889 -5.221 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.092 15.840 -4.044 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.623 14.174 -5.614 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.415 15.315 -6.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.461 14.049 -7.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.820 15.691 -6.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 15.023 14.585 -5.674 1.00 0.00 H new ATOM 1325 N LEU A 85 9.854 19.341 -2.046 1.00 0.00 N ATOM 1326 CA LEU A 85 9.585 20.332 -0.963 1.00 0.00 C ATOM 1327 C LEU A 85 8.302 19.946 -0.224 1.00 0.00 C ATOM 1328 O LEU A 85 7.446 19.270 -0.763 1.00 0.00 O ATOM 1329 CB LEU A 85 9.421 21.725 -1.576 1.00 0.00 C ATOM 1330 CG LEU A 85 10.678 22.084 -2.371 1.00 0.00 C ATOM 1331 CD1 LEU A 85 10.304 23.021 -3.521 1.00 0.00 C ATOM 1332 CD2 LEU A 85 11.680 22.783 -1.449 1.00 0.00 C ATOM 0 H LEU A 85 9.537 19.621 -2.974 1.00 0.00 H new ATOM 0 HA LEU A 85 10.419 20.339 -0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.547 21.747 -2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.252 22.462 -0.791 1.00 0.00 H new ATOM 0 HG LEU A 85 11.126 21.176 -2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.199 23.277 -4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.589 22.525 -4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 85 9.857 23.930 -3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.576 23.040 -2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 85 11.232 23.692 -1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 85 11.946 22.116 -0.629 1.00 0.00 H new ATOM 1344 N GLU A 86 8.166 20.373 1.006 1.00 0.00 N ATOM 1345 CA GLU A 86 6.941 20.036 1.789 1.00 0.00 C ATOM 1346 C GLU A 86 6.062 21.283 1.922 1.00 0.00 C ATOM 1347 O GLU A 86 4.851 21.192 1.992 1.00 0.00 O ATOM 1348 CB GLU A 86 7.345 19.547 3.182 1.00 0.00 C ATOM 1349 CG GLU A 86 7.619 18.043 3.135 1.00 0.00 C ATOM 1350 CD GLU A 86 6.330 17.279 3.441 1.00 0.00 C ATOM 1351 OE1 GLU A 86 6.016 17.130 4.611 1.00 0.00 O ATOM 1352 OE2 GLU A 86 5.679 16.853 2.501 1.00 0.00 O ATOM 0 H GLU A 86 8.853 20.942 1.502 1.00 0.00 H new ATOM 0 HA GLU A 86 6.385 19.252 1.275 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.234 20.079 3.522 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.552 19.761 3.898 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.996 17.762 2.152 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.390 17.780 3.859 1.00 0.00 H new ATOM 1359 N LYS A 87 6.667 22.443 1.958 1.00 0.00 N ATOM 1360 CA LYS A 87 5.877 23.702 2.086 1.00 0.00 C ATOM 1361 C LYS A 87 5.755 24.370 0.715 1.00 0.00 C ATOM 1362 O LYS A 87 4.901 25.229 0.569 1.00 0.00 O ATOM 1363 CB LYS A 87 6.583 24.652 3.055 1.00 0.00 C ATOM 1364 CG LYS A 87 5.592 25.707 3.551 1.00 0.00 C ATOM 1365 CD LYS A 87 4.952 25.232 4.857 1.00 0.00 C ATOM 1366 CE LYS A 87 3.771 26.139 5.206 1.00 0.00 C ATOM 1367 NZ LYS A 87 3.587 26.168 6.686 1.00 0.00 N ATOM 0 H LYS A 87 7.677 22.571 1.904 1.00 0.00 H new ATOM 0 HA LYS A 87 4.882 23.469 2.466 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.987 24.093 3.899 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.425 25.134 2.559 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.104 26.656 3.709 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.823 25.881 2.799 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.614 24.201 4.755 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.687 25.249 5.662 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.949 27.147 4.831 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.864 25.775 4.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.784 26.785 6.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.398 25.205 7.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.450 26.534 7.136 1.00 0.00 H new TER 1381 LYS A 87